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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 (2,978)
Thiazoles (2,017)
Pyrazoles (1,494)
Triazoles (583)
Oxazoles (552)
Oxadiazoles (244)
Isoxazoles (232)
Thiadiazoles (71)
Dithiazoles (4)

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16 – 30 of 6,951 results
16

Allopurinol, 99.78%, MP Biomedicals™

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

PubChem CID 2094
CAS 315-30-0
Molecular Weight (g/mol) 136.11
ChEBI CHEBI:40279
MDL Number MFCD00599413
SMILES O=C1N=CN=C2NNC=C12
Synonym allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
17

1-Benzylimidazole, 99%

CAS: 4238-71-5 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00005296 InChI Key: KKKDZZRICRFGSD-UHFFFAOYSA-N Synonym: 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole PubChem CID: 77918 IUPAC Name: 1-benzylimidazole SMILES: C(N1C=CN=C1)C1=CC=CC=C1

PubChem CID 77918
CAS 4238-71-5
Molecular Weight (g/mol) 158.20
MDL Number MFCD00005296
SMILES C(N1C=CN=C1)C1=CC=CC=C1
Synonym 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole
IUPAC Name 1-benzylimidazole
InChI Key KKKDZZRICRFGSD-UHFFFAOYSA-N
Molecular Formula C10H10N2
18

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
19

Carbimazole, 98%, Thermo Scientific™

CAS: 22232-54-8 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.23 InChI Key: CFOYWRHIYXMDOT-UHFFFAOYSA-N Synonym: carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat PubChem CID: 31072 ChEBI: CHEBI:617099 IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate SMILES: CCOC(=O)N1C=CN(C1=S)C

PubChem CID 31072
CAS 22232-54-8
Molecular Weight (g/mol) 186.23
ChEBI CHEBI:617099
SMILES CCOC(=O)N1C=CN(C1=S)C
Synonym carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat
IUPAC Name ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate
InChI Key CFOYWRHIYXMDOT-UHFFFAOYSA-N
Molecular Formula C7H10N2O2S
20

Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.156
ChEBI CHEBI:6909
MDL Number MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
21

2,5-Dimercapto-1,3,4-thiadiazole, 98%

CAS: 1072-71-5 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00003103 InChI Key: BIGYLAKFCGVRAN-UHFFFAOYSA-N Synonym: 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i PubChem CID: 2723630 IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione SMILES: S=C1NNC(=S)S1

PubChem CID 2723630
CAS 1072-71-5
Molecular Weight (g/mol) 150.23
MDL Number MFCD00003103
SMILES S=C1NNC(=S)S1
Synonym 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i
IUPAC Name 1,3,4-thiadiazolidine-2,5-dithione
InChI Key BIGYLAKFCGVRAN-UHFFFAOYSA-N
Molecular Formula C2H2N2S3
22

3-Amino-1H-1,2,4-triazole, 96%

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
23

1-Methyl-3-n-octylimidazolium bis(trifluoromethylsulfonyl)imide, 99%

CAS: 178631-04-4 Molecular Formula: C14H23F6N3O4S2 Molecular Weight (g/mol): 475.465 MDL Number: MFCD08458946 InChI Key: LECQXINNQGHJBM-UHFFFAOYSA-N Synonym: 1-methyl-3-octylimidazolium bis trifluoromethylsulfonyl imide,dsstox_cid_27931,dsstox_rid_82684,dsstox_gsid_47955,1-octyl-3-methylimidazolium; bistriflylimide anion,1-n-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-methyl-3-n-octylimidazolium bis trifluoromethanesulfonyl imide PubChem CID: 12184591 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium SMILES: CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

PubChem CID 12184591
CAS 178631-04-4
Molecular Weight (g/mol) 475.465
MDL Number MFCD08458946
SMILES CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Synonym 1-methyl-3-octylimidazolium bis trifluoromethylsulfonyl imide,dsstox_cid_27931,dsstox_rid_82684,dsstox_gsid_47955,1-octyl-3-methylimidazolium; bistriflylimide anion,1-n-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-methyl-3-n-octylimidazolium bis trifluoromethanesulfonyl imide
IUPAC Name bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium
InChI Key LECQXINNQGHJBM-UHFFFAOYSA-N
Molecular Formula C14H23F6N3O4S2
24

1,1'-Carbonyldiimidazole, 97%

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 SMILES: O=C(N1C=CN=C1)N1C=CN=C1

PubChem CID 68263
CAS 530-62-1
Molecular Weight (g/mol) 162.15
MDL Number MFCD00005286
SMILES O=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
InChI Key PFKFTWBEEFSNDU-UHFFFAOYSA-N
Molecular Formula C7H6N4O
25

1,1'-Oxalyldiimidazole 95.0+%, TCI America™

CAS: 18637-83-7 Molecular Formula: C8H6N4O2 Molecular Weight (g/mol): 190.16 MDL Number: MFCD00043067 InChI Key: ONRNRVLJHFFBJG-UHFFFAOYSA-N Synonym: 1,1'-oxalyldiimidazole,1,2-di 1h-imidazol-1-yl ethane-1,2-dione,1h-imidazole, 1,1'-1,2-dioxo-1,2-ethanediyl bis,oxalic acid diimidazolide,1,2-di imidazol-1-yl ethane-1,2-dione,bis imidazol-1-yl ethane-1,2-dione,1,1-oxalyldiimidazole,acmc-1cacg,1,1'-oxalyl-diimidazol,1,1'-oxalyldi 1h-imidazole PubChem CID: 100439 IUPAC Name: bis(1H-imidazol-1-yl)ethane-1,2-dione SMILES: O=C(N1C=CN=C1)C(=O)N1C=CN=C1

PubChem CID 100439
CAS 18637-83-7
Molecular Weight (g/mol) 190.16
MDL Number MFCD00043067
SMILES O=C(N1C=CN=C1)C(=O)N1C=CN=C1
Synonym 1,1'-oxalyldiimidazole,1,2-di 1h-imidazol-1-yl ethane-1,2-dione,1h-imidazole, 1,1'-1,2-dioxo-1,2-ethanediyl bis,oxalic acid diimidazolide,1,2-di imidazol-1-yl ethane-1,2-dione,bis imidazol-1-yl ethane-1,2-dione,1,1-oxalyldiimidazole,acmc-1cacg,1,1'-oxalyl-diimidazol,1,1'-oxalyldi 1h-imidazole
IUPAC Name bis(1H-imidazol-1-yl)ethane-1,2-dione
InChI Key ONRNRVLJHFFBJG-UHFFFAOYSA-N
Molecular Formula C8H6N4O2
26

1-Ethyl-3-methylimidazolium dicyanamide, 98%

CAS: 370865-89-7 Molecular Formula: C8H11N5 Molecular Weight (g/mol): 177.211 MDL Number: MFCD08276373 InChI Key: MKHFCTXNDRMIDR-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium dicyanamide,ethylmethylimidazolium dicyanamide,emim dca,acmc-209iqn,basionics™ vs 03,dsstox_cid_27940,dsstox_rid_82692,dsstox_gsid_47964,ksc221g0h PubChem CID: 11159638 IUPAC Name: cyanoiminomethylideneazanide;1-ethyl-3-methylimidazol-3-ium SMILES: CCN1C=C[N+](=C1)C.C(=[N-])=NC#N

PubChem CID 11159638
CAS 370865-89-7
Molecular Weight (g/mol) 177.211
MDL Number MFCD08276373
SMILES CCN1C=C[N+](=C1)C.C(=[N-])=NC#N
Synonym 1-ethyl-3-methylimidazolium dicyanamide,ethylmethylimidazolium dicyanamide,emim dca,acmc-209iqn,basionics™ vs 03,dsstox_cid_27940,dsstox_rid_82692,dsstox_gsid_47964,ksc221g0h
IUPAC Name cyanoiminomethylideneazanide;1-ethyl-3-methylimidazol-3-ium
InChI Key MKHFCTXNDRMIDR-UHFFFAOYSA-N
Molecular Formula C8H11N5
27

Ethyl 2-aminooxazole-4-carboxylate, 95%

CAS: 177760-52-0 Molecular Formula: C6H8N2O3 Molecular Weight (g/mol): 156.14 MDL Number: MFCD06659907 InChI Key: NBABLVASYFPOEV-UHFFFAOYSA-N PubChem CID: 319549 IUPAC Name: ethyl 2-amino-1,3-oxazole-4-carboxylate SMILES: CCOC(=O)C1=COC(N)=N1

PubChem CID 319549
CAS 177760-52-0
Molecular Weight (g/mol) 156.14
MDL Number MFCD06659907
SMILES CCOC(=O)C1=COC(N)=N1
IUPAC Name ethyl 2-amino-1,3-oxazole-4-carboxylate
InChI Key NBABLVASYFPOEV-UHFFFAOYSA-N
Molecular Formula C6H8N2O3
28

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

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 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;chloride 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
IUPAC Name 1-butyl-3-methylimidazol-3-ium;chloride
InChI Key FHDQNOXQSTVAIC-UHFFFAOYSA-M
Molecular Formula C8H15ClN2
29

Prochloraz 98.0+%, TCI America™

CAS: 67747-09-5 Molecular Formula: C15H16Cl3N3O2 Molecular Weight (g/mol): 376.662 MDL Number: MFCD00078735 InChI Key: TVLSRXXIMLFWEO-UHFFFAOYSA-N Synonym: prochloraz,mirage,octave,prelude,ascurit,sporgon,sportak,mirage pesticide,dibavit,sprint PubChem CID: 73665 ChEBI: CHEBI:8434 IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide SMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2

PubChem CID 73665
CAS 67747-09-5
Molecular Weight (g/mol) 376.662
ChEBI CHEBI:8434
MDL Number MFCD00078735
SMILES CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2
Synonym prochloraz,mirage,octave,prelude,ascurit,sporgon,sportak,mirage pesticide,dibavit,sprint
IUPAC Name N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
InChI Key TVLSRXXIMLFWEO-UHFFFAOYSA-N
Molecular Formula C15H16Cl3N3O2
30

1-Methylimidazole 99.0+%, TCI America™

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-methyl-1H-imidazole 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-methyl-1H-imidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2