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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (757)
Thiazoles (688)
Pyrazoles (588)
Triazoles (228)
Isoxazoles (213)
Oxazoles (116)
Thiadiazoles (85)
Oxadiazoles (62)
Dithiazoles (8)

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1 – 15 of 1,247 results
1

Thiazolyl blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 64965
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
MDL Number MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2

1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%

CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1

EDGE
PubChem CID 2734174
CAS 174501-64-5
Molecular Weight (g/mol) 284.19
MDL Number MFCD03093295
SMILES F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate
InChI Key IXQYBUDWDLYNMA-UHFFFAOYSA-N
Molecular Formula C8H15F6N2P
3

1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
IUPAC Name 1-methylimidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
4

Xanthane hydride, Thermo Scientific Chemicals

CAS: 6846-35-1 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 InChI Key: YWZHEXZIISFIDA-UHFFFAOYSA-N IUPAC Name: 5-amino-3H-1,2,4-dithiazole-3-thione SMILES: NC1=NC(=S)SS1

CAS 6846-35-1
Molecular Weight (g/mol) 150.23
SMILES NC1=NC(=S)SS1
IUPAC Name 5-amino-3H-1,2,4-dithiazole-3-thione
InChI Key YWZHEXZIISFIDA-UHFFFAOYSA-N
Molecular Formula C2H2N2S3
5

2-Methyl-5-nitroimidazole, 99%

CAS: 88054-22-2 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00005191 InChI Key: FFYTTYVSDVWNMY-UHFFFAOYSA-N Synonym: 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro PubChem CID: 12760 IUPAC Name: 2-methyl-5-nitro-1H-imidazole SMILES: CC1=NC=C(N1)[N+]([O-])=O

PubChem CID 12760
CAS 88054-22-2
Molecular Weight (g/mol) 127.10
MDL Number MFCD00005191
SMILES CC1=NC=C(N1)[N+]([O-])=O
Synonym 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro
IUPAC Name 2-methyl-5-nitro-1H-imidazole
InChI Key FFYTTYVSDVWNMY-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
6

1H-Benzotriazole, 99%

CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

PubChem CID 7220
CAS 95-14-7
Molecular Weight (g/mol) 119.13
ChEBI CHEBI:75331
MDL Number MFCD00005699
SMILES C1=CC2=NNN=C2C=C1
Synonym 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
IUPAC Name 2H-benzotriazole
InChI Key QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula C6H5N3
7

4-Methylpyrazole, 97%

CAS: 7554-65-6 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 InChI Key: RIKMMFOAQPJVMX-UHFFFAOYSA-N Synonym: 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn PubChem CID: 3406 ChEBI: CHEBI:5141 IUPAC Name: 4-methyl-1H-pyrazole SMILES: CC1=CNN=C1

PubChem CID 3406
CAS 7554-65-6
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:5141
SMILES CC1=CNN=C1
Synonym 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn
IUPAC Name 4-methyl-1H-pyrazole
InChI Key RIKMMFOAQPJVMX-UHFFFAOYSA-N
Molecular Formula C4H6N2
8

Sulfisoxazole, 99%, Thermo Scientific Chemicals

CAS: 127-69-5 Molecular Formula: C11H13N3O3S Molecular Weight (g/mol): 267.3 InChI Key: NHUHCSRWZMLRLA-UHFFFAOYSA-N Synonym: sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole PubChem CID: 5344 ChEBI: CHEBI:102484 IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5344
CAS 127-69-5
Molecular Weight (g/mol) 267.3
ChEBI CHEBI:102484
SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole
IUPAC Name 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
InChI Key NHUHCSRWZMLRLA-UHFFFAOYSA-N
Molecular Formula C11H13N3O3S
9

1,2-Dimethyl-5-nitroimidazole, 98%

CAS: 551-92-8 Molecular Formula: C5H7N3O2 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00047046 InChI Key: IBXPYPUJPLLOIN-UHFFFAOYSA-N Synonym: dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo PubChem CID: 3090 IUPAC Name: 1,2-dimethyl-5-nitroimidazole SMILES: CN1C(C)=NC=C1[N+]([O-])=O

PubChem CID 3090
CAS 551-92-8
Molecular Weight (g/mol) 141.13
MDL Number MFCD00047046
SMILES CN1C(C)=NC=C1[N+]([O-])=O
Synonym dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo
IUPAC Name 1,2-dimethyl-5-nitroimidazole
InChI Key IBXPYPUJPLLOIN-UHFFFAOYSA-N
Molecular Formula C5H7N3O2
10

3,5-Dimethylpyrazole, 99%

CAS: 67-51-6 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005243 InChI Key: SDXAWLJRERMRKF-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 PubChem CID: 6210 IUPAC Name: 3,5-dimethyl-1H-pyrazole SMILES: CC1=CC(C)=NN1

PubChem CID 6210
CAS 67-51-6
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005243
SMILES CC1=CC(C)=NN1
Synonym 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256
IUPAC Name 3,5-dimethyl-1H-pyrazole
InChI Key SDXAWLJRERMRKF-UHFFFAOYSA-N
Molecular Formula C5H8N2
11

1,2,4-1H-Triazole, 99.5%

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.06 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

PubChem CID 9257
CAS 288-88-0
Molecular Weight (g/mol) 69.06
ChEBI CHEBI:35550
MDL Number MFCD00005228
SMILES C1=NC=NN1
Synonym 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
IUPAC Name 1H-1,2,4-triazole
InChI Key NSPMIYGKQJPBQR-UHFFFAOYSA-N
Molecular Formula C2H3N3
12

1,2,4-Triazole, sodium salt, 90%, technical

CAS: 41253-21-8 Molecular Formula: C2H2N3Na Molecular Weight (g/mol): 91.05 MDL Number: MFCD00044437 InChI Key: NVMNEWNGLGACBB-UHFFFAOYSA-N Synonym: sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt PubChem CID: 4649906 IUPAC Name: sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene SMILES: C1=NC=N[N-]1.[Na+]

PubChem CID 4649906
CAS 41253-21-8
Molecular Weight (g/mol) 91.05
MDL Number MFCD00044437
SMILES C1=NC=N[N-]1.[Na+]
Synonym sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt
IUPAC Name sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene
InChI Key NVMNEWNGLGACBB-UHFFFAOYSA-N
Molecular Formula C2H2N3Na
13

1-Acetylimidazole, 98%, Thermo Scientific Chemicals

CAS: 2466-76-4 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00005287 InChI Key: VIHYIVKEECZGOU-UHFFFAOYSA-N Synonym: 1-acetylimidazole,n-acetylimidazole,1-1h-imidazol-1-yl ethanone,1h-imidazole, 1-acetyl,acetylimidazole,1-acetyl-1h-imidazole,imidazole, 1-acetyl,3-acetylimidazole,unii-zmp8x1y11g,ccris 6534 PubChem CID: 17174 ChEBI: CHEBI:16984 IUPAC Name: 1-imidazol-1-ylethanone SMILES: CC(=O)N1C=CN=C1

PubChem CID 17174
CAS 2466-76-4
Molecular Weight (g/mol) 110.12
ChEBI CHEBI:16984
MDL Number MFCD00005287
SMILES CC(=O)N1C=CN=C1
Synonym 1-acetylimidazole,n-acetylimidazole,1-1h-imidazol-1-yl ethanone,1h-imidazole, 1-acetyl,acetylimidazole,1-acetyl-1h-imidazole,imidazole, 1-acetyl,3-acetylimidazole,unii-zmp8x1y11g,ccris 6534
IUPAC Name 1-imidazol-1-ylethanone
InChI Key VIHYIVKEECZGOU-UHFFFAOYSA-N
Molecular Formula C5H6N2O
14

1,2-Dimethylimidazole, 96+%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

PubChem CID 15617
CAS 1739-84-0
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005294
SMILES CN1C=CN=C1C
Synonym 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name 1,2-dimethylimidazole
InChI Key GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula C5H8N2
15

1-Ethyl-3-methylimidazolium chloride, 97%

CAS: 65039-09-0 Molecular Formula: C6H11ClN2 Molecular Weight (g/mol): 146.62 MDL Number: MFCD00074843 InChI Key: BMQZYMYBQZGEEY-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 PubChem CID: 2734160 ChEBI: CHEBI:61327 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCN1C=C[N+](C)=C1

PubChem CID 2734160
CAS 65039-09-0
Molecular Weight (g/mol) 146.62
ChEBI CHEBI:61327
MDL Number MFCD00074843
SMILES [Cl-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;chloride
InChI Key BMQZYMYBQZGEEY-UHFFFAOYSA-M
Molecular Formula C6H11ClN2