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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 (10)
Thiazoles (7)
Triazoles (4)

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1 – 11 of 11 results
1

2-(4-Methyl-1,3-thiazol-2-yl)acetonitrile, 97%, Thermo Scientific™

CAS: 19785-39-8 Molecular Formula: C6H6N2S Molecular Weight (g/mol): 138.19 MDL Number: MFCD03011392 InChI Key: XSRRCOBFMZWKJR-UHFFFAOYSA-N Synonym: 2-4-methyl-1,3-thiazol-2-yl acetonitrile,2-4-methylthiazol-2-yl acetonitrile,4-methyl-1,3-thiazol-2-yl acetonitrile,4-methyl-1,3-thiazole-2-yl acetonitrile,2-thiazoleacetonitrile,4-methyl,2-4-methyl-1,3-thiazol-2-yl ethanenitrile,2-thiazoleacetonitrile, 4-methyl,4-methyl-2-thiazoleacetonitrile,4-methylthiazole-2-acetonitrile,4-methylthiazol-2-yl-acetonitrile PubChem CID: 737184 IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)acetonitrile SMILES: CC1=CSC(CC#N)=N1

PubChem CID 737184
CAS 19785-39-8
Molecular Weight (g/mol) 138.19
MDL Number MFCD03011392
SMILES CC1=CSC(CC#N)=N1
Synonym 2-4-methyl-1,3-thiazol-2-yl acetonitrile,2-4-methylthiazol-2-yl acetonitrile,4-methyl-1,3-thiazol-2-yl acetonitrile,4-methyl-1,3-thiazole-2-yl acetonitrile,2-thiazoleacetonitrile,4-methyl,2-4-methyl-1,3-thiazol-2-yl ethanenitrile,2-thiazoleacetonitrile, 4-methyl,4-methyl-2-thiazoleacetonitrile,4-methylthiazole-2-acetonitrile,4-methylthiazol-2-yl-acetonitrile
IUPAC Name 2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
InChI Key XSRRCOBFMZWKJR-UHFFFAOYSA-N
Molecular Formula C6H6N2S
2

1-Ethyl-3-methylimidazolium iodide, 97%

CAS: 35935-34-3 Molecular Formula: C6H11IN2 Molecular Weight (g/mol): 238.07 MDL Number: MFCD03701101 InChI Key: IKQCDTXBZKMPBB-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium iodide,1-ethyl-3-methylimidazoliumiodide,1-ethyl-3-methyl-1h-imidazol-3-ium iodide,acmc-209ik2,dsstox_cid_29137,dsstox_rid_83356,dsstox_gsid_49281,ksc495i0n,1-ethyl-3-methyl imidazolium iodide salt PubChem CID: 11075478 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;iodide SMILES: [I-].CCN1C=C[N+](C)=C1

PubChem CID 11075478
CAS 35935-34-3
Molecular Weight (g/mol) 238.07
MDL Number MFCD03701101
SMILES [I-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium iodide,1-ethyl-3-methylimidazoliumiodide,1-ethyl-3-methyl-1h-imidazol-3-ium iodide,acmc-209ik2,dsstox_cid_29137,dsstox_rid_83356,dsstox_gsid_49281,ksc495i0n,1-ethyl-3-methyl imidazolium iodide salt
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;iodide
InChI Key IKQCDTXBZKMPBB-UHFFFAOYSA-M
Molecular Formula C6H11IN2
3

1-Ethyl-3-methylimidazolium bromide, 98+%

CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;bromide SMILES: [Br-].CCN1C=C[N+](C)=C1

PubChem CID 2734235
CAS 65039-08-9
Molecular Weight (g/mol) 191.07
MDL Number MFCD03427610
SMILES [Br-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;bromide
InChI Key GWQYPLXGJIXMMV-UHFFFAOYSA-M
Molecular Formula C6H11BrN2
4

1-Ethyl-3-methylimidazolium acetate, 97%

CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]

PubChem CID 11658353
CAS 143314-17-4
Molecular Weight (g/mol) 170.212
MDL Number MFCD06798186
SMILES CCN1C=C[N+](=C1)C.CC(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;acetate
InChI Key XIYUIMLQTKODPS-UHFFFAOYSA-M
Molecular Formula C8H14N2O2
5

1-n-Butyl-3-methylimidazolium chloride, 96%

CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 SMILES: [Cl-].CCCCN1C=C[N+](C)=C1

PubChem CID 2734161
CAS 79917-90-1
Molecular Weight (g/mol) 174.67
MDL Number MFCD03095425
SMILES [Cl-].CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461
InChI Key FHDQNOXQSTVAIC-UHFFFAOYSA-M
Molecular Formula C8H15ClN2
6

1-n-Butyl-3-methylimidazolium tetrafluoroborate, 98+%

CAS: 174501-65-6 Molecular Formula: C8H15BF4N2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD03095449 InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2734178 SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1

PubChem CID 2734178
CAS 174501-65-6
Molecular Weight (g/mol) 226.03
MDL Number MFCD03095449
SMILES F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate
InChI Key LSBXQLQATZTAPE-UHFFFAOYSA-N
Molecular Formula C8H15BF4N2
7

3-Amino-1H-1,2,4-triazole, 95%

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

PubChem CID 1639
CAS 61-82-5
Molecular Weight (g/mol) 84.08
ChEBI CHEBI:40036
MDL Number MFCD00005230,MFCD00053362
SMILES NC1=NC=NN1
Synonym 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
IUPAC Name 1H-1,2,4-triazol-5-amine
InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula C2H4N4
8
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PYBOP™, 99%

CAS: 128625-52-5 Molecular Formula: C18H28F6N6OP2 Molecular Weight (g/mol): 520.39 MDL Number: MFCD00077411 InChI Key: VIAFLMPQBHAMLI-UHFFFAOYSA-N Synonym: pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate PubChem CID: 2724699 IUPAC Name: benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate SMILES: C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F

PubChem CID 2724699
CAS 128625-52-5
Molecular Weight (g/mol) 520.39
MDL Number MFCD00077411
SMILES C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F
Synonym pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate
IUPAC Name benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate
InChI Key VIAFLMPQBHAMLI-UHFFFAOYSA-N
Molecular Formula C18H28F6N6OP2
9

4-(4-Pyridyl)-2-thiazoleacetonitrile, 97%, Thermo Scientific™

CAS: 1016888-78-0 Molecular Formula: C10H7N3S Molecular Weight (g/mol): 201.247 MDL Number: MFCD09950233 InChI Key: LIIDMCZQVRSSQE-UHFFFAOYSA-N Synonym: 4-4-pyridyl thiazole-2-yl acetonitrile,2-4-pyridin-4-yl thiazol-2-yl acetonitrile,2-4-pyridin-4-yl-1,3-thiazol-2-yl acetonitrile PubChem CID: 24710447 IUPAC Name: 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetonitrile SMILES: C1=CN=CC=C1C2=CSC(=N2)CC#N

PubChem CID 24710447
CAS 1016888-78-0
Molecular Weight (g/mol) 201.247
MDL Number MFCD09950233
SMILES C1=CN=CC=C1C2=CSC(=N2)CC#N
Synonym 4-4-pyridyl thiazole-2-yl acetonitrile,2-4-pyridin-4-yl thiazol-2-yl acetonitrile,2-4-pyridin-4-yl-1,3-thiazol-2-yl acetonitrile
IUPAC Name 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetonitrile
InChI Key LIIDMCZQVRSSQE-UHFFFAOYSA-N
Molecular Formula C10H7N3S
10

4-Phenyl-2-thiazoleacetonitrile, 97%, Thermo Scientific™

CAS: 41381-89-9 Molecular Formula: C11H8N2S Molecular Weight (g/mol): 200.26 MDL Number: MFCD00551791 InChI Key: SOFCSIBVJROWGI-UHFFFAOYSA-N Synonym: 2-4-phenylthiazol-2-yl acetonitrile,2-4-phenyl-1,3-thiazol-2-yl acetonitrile,4-phenyl-1,3-thiazol-2-yl acetonitrile,2-cyanomethyl-4-phenylthiazole,4-phenyl-thiazol-2-yl-acetonitrile,2-thiazoleacetonitrile, 4-phenyl,2-4-phenyl-1,3-thiazol-2-yl ethanenitrile,maybridge1_006883,cambridge id 5156617,4-phenyl-2-cyanomethylthiazole PubChem CID: 704539 IUPAC Name: 2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile SMILES: N#CCC1=NC(=CS1)C1=CC=CC=C1

PubChem CID 704539
CAS 41381-89-9
Molecular Weight (g/mol) 200.26
MDL Number MFCD00551791
SMILES N#CCC1=NC(=CS1)C1=CC=CC=C1
Synonym 2-4-phenylthiazol-2-yl acetonitrile,2-4-phenyl-1,3-thiazol-2-yl acetonitrile,4-phenyl-1,3-thiazol-2-yl acetonitrile,2-cyanomethyl-4-phenylthiazole,4-phenyl-thiazol-2-yl-acetonitrile,2-thiazoleacetonitrile, 4-phenyl,2-4-phenyl-1,3-thiazol-2-yl ethanenitrile,maybridge1_006883,cambridge id 5156617,4-phenyl-2-cyanomethylthiazole
IUPAC Name 2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
InChI Key SOFCSIBVJROWGI-UHFFFAOYSA-N
Molecular Formula C11H8N2S
11

2-Cyanomethyl-4-(4-hydroxyphenyl)thiazole, 97%, Thermo Scientific™

CAS: 1028352-86-4 Molecular Formula: C11H8N2OS Molecular Weight (g/mol): 216.258 MDL Number: MFCD22682948 InChI Key: CMIGLFUTBISGQV-UHFFFAOYSA-N Synonym: 2-cyanomethyl-4-4-hydroxyphenyl thiazole,2-4-4-hydroxyphenyl-1,3-thiazol-2-yl acetonitrile PubChem CID: 73996315 IUPAC Name: 2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]acetonitrile SMILES: C1=CC(=CC=C1C2=CSC(=N2)CC#N)O

PubChem CID 73996315
CAS 1028352-86-4
Molecular Weight (g/mol) 216.258
MDL Number MFCD22682948
SMILES C1=CC(=CC=C1C2=CSC(=N2)CC#N)O
Synonym 2-cyanomethyl-4-4-hydroxyphenyl thiazole,2-4-4-hydroxyphenyl-1,3-thiazol-2-yl acetonitrile
IUPAC Name 2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]acetonitrile
InChI Key CMIGLFUTBISGQV-UHFFFAOYSA-N
Molecular Formula C11H8N2OS