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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 (271)
Thiazoles (106)
Triazoles (48)
Pyrazoles (42)
Oxazoles (31)
Oxadiazoles (14)
Isoxazoles (13)
Thiadiazoles (10)

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1 – 15 of 380 results
1

Acyclovir 98.0+%, TCI America™

CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N Synonym: acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum PubChem CID: 2022 ChEBI: CHEBI:2453 IUPAC Name: 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1

PubChem CID 2022
CAS 59277-89-3
Molecular Weight (g/mol) 225.21
ChEBI CHEBI:2453
MDL Number MFCD00057880
SMILES NC1=NC2=C(N=CN2COCCO)C(=O)N1
Synonym acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum
IUPAC Name 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one
InChI Key MKUXAQIIEYXACX-UHFFFAOYSA-N
Molecular Formula C8H11N5O3
2

1-Decyl-3-methylimidazolium Bromide 98.0+%, TCI America™

CAS: 188589-32-4 Molecular Formula: C14H27BrN2 Molecular Weight (g/mol): 303.29 MDL Number: MFCD09038832 InChI Key: HOISBTKPPVRFDS-UHFFFAOYSA-M Synonym: 1-Decyl-3-methyl-1H-imidazol-3-ium Bromide PubChem CID: 22078297 IUPAC Name: 1-decyl-3-methyl-1H-imidazol-3-ium bromide SMILES: [Br-].CCCCCCCCCCN1C=C[N+](C)=C1

PubChem CID 22078297
CAS 188589-32-4
Molecular Weight (g/mol) 303.29
MDL Number MFCD09038832
SMILES [Br-].CCCCCCCCCCN1C=C[N+](C)=C1
Synonym 1-Decyl-3-methyl-1H-imidazol-3-ium Bromide
IUPAC Name 1-decyl-3-methyl-1H-imidazol-3-ium bromide
InChI Key HOISBTKPPVRFDS-UHFFFAOYSA-M
Molecular Formula C14H27BrN2
3

1-Ethyl-3-methylimidazolium Acetate 95.0+%, TCI America™

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
4

1-Ethyl-3-methylimidazolium Methyl Sulfate 98.0+%, TCI America™

CAS: 516474-01-4 Molecular Formula: C7H14N2O4S Molecular Weight (g/mol): 222.259 MDL Number: MFCD08457697 InChI Key: BXSDLSWVIAITRQ-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium methyl sulfate,1-ethyl-3-methylimidazolium methylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium methyl sulfate,1-ethyl-3-methylimidazolium methyl sulfate 1-,1-ethyl-3-methylimidazoliummethylsulfate,dsstox_cid_29266,dsstox_rid_83385,dsstox_gsid_49310,1-ethyl-3-methylimidazolium methylsul-fate,1-ethyl-3-methylimidazolium methyl sulfate hplc PubChem CID: 16211409 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;methyl sulfate SMILES: CCN1C=C[N+](=C1)C.COS(=O)(=O)[O-]

PubChem CID 16211409
CAS 516474-01-4
Molecular Weight (g/mol) 222.259
MDL Number MFCD08457697
SMILES CCN1C=C[N+](=C1)C.COS(=O)(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium methyl sulfate,1-ethyl-3-methylimidazolium methylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium methyl sulfate,1-ethyl-3-methylimidazolium methyl sulfate 1-,1-ethyl-3-methylimidazoliummethylsulfate,dsstox_cid_29266,dsstox_rid_83385,dsstox_gsid_49310,1-ethyl-3-methylimidazolium methylsul-fate,1-ethyl-3-methylimidazolium methyl sulfate hplc
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;methyl sulfate
InChI Key BXSDLSWVIAITRQ-UHFFFAOYSA-M
Molecular Formula C7H14N2O4S
5

Tinidazole 98.0+%, TCI America™

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N Synonym: 1-[2-(Ethylsulfonyl)ethyl]-2-methyl-5-nitroimidazole PubChem CID: 5479 ChEBI: CHEBI:63627 IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

PubChem CID 5479
CAS 19387-91-8
Molecular Weight (g/mol) 247.27
ChEBI CHEBI:63627
MDL Number MFCD00057217
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
Synonym 1-[2-(Ethylsulfonyl)ethyl]-2-methyl-5-nitroimidazole
IUPAC Name 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula C8H13N3O4S
6

1-Methyl-3-n-octylimidazolium Tetrafluoroborate 97.0+%, TCI America™

CAS: 244193-52-0 Molecular Formula: C12H23BF4N2 Molecular Weight (g/mol): 282.13 MDL Number: MFCD03095434 InChI Key: GXZCAMSPWNHTAE-UHFFFAOYSA-N Synonym: 1-methyl-3-octylimidazolium tetrafluoroborate,1-methyl-3-n-octylimidazolium tetrafluoroborate,3-methyl-1-octylimidazolium tetrafluoroborate,1-octyl-3-methylimidazolium tetrafluoroborate,omimbf4,dsstox_cid_27919,dsstox_rid_82672,dsstox_gsid_47943,3-methyl-1-octylimidazoliumtetrafluoroborate,1-methyl-3-octylimidazolium tetrafluoroborate hplc PubChem CID: 11460221 IUPAC Name: 3-methyl-1-octyl-1H-imidazol-3-ium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CCCCCCCCN1C=C[N+](C)=C1

PubChem CID 11460221
CAS 244193-52-0
Molecular Weight (g/mol) 282.13
MDL Number MFCD03095434
SMILES F[B-](F)(F)F.CCCCCCCCN1C=C[N+](C)=C1
Synonym 1-methyl-3-octylimidazolium tetrafluoroborate,1-methyl-3-n-octylimidazolium tetrafluoroborate,3-methyl-1-octylimidazolium tetrafluoroborate,1-octyl-3-methylimidazolium tetrafluoroborate,omimbf4,dsstox_cid_27919,dsstox_rid_82672,dsstox_gsid_47943,3-methyl-1-octylimidazoliumtetrafluoroborate,1-methyl-3-octylimidazolium tetrafluoroborate hplc
IUPAC Name 3-methyl-1-octyl-1H-imidazol-3-ium; tetrafluoroboranuide
InChI Key GXZCAMSPWNHTAE-UHFFFAOYSA-N
Molecular Formula C12H23BF4N2
7

NBD-CO-Hz 95.0+%, TCI America™

CAS: 221263-97-4 Molecular Formula: C9H10N6O4 Molecular Weight (g/mol): 266.217 MDL Number: MFCD02093433 InChI Key: IDJGYEQXPMQJKF-UHFFFAOYSA-N Synonym: 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitrobenzofurazan, 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole PubChem CID: 3428975 IUPAC Name: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetohydrazide SMILES: CN(CC(=O)NN)C1=CC=C(C2=NON=C12)[N+](=O)[O-]

PubChem CID 3428975
CAS 221263-97-4
Molecular Weight (g/mol) 266.217
MDL Number MFCD02093433
SMILES CN(CC(=O)NN)C1=CC=C(C2=NON=C12)[N+](=O)[O-]
Synonym 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitrobenzofurazan, 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole
IUPAC Name 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetohydrazide
InChI Key IDJGYEQXPMQJKF-UHFFFAOYSA-N
Molecular Formula C9H10N6O4
8

DBD-CO-Hz 98.0+%, TCI America™

CAS: 179951-63-4 Molecular Formula: C11H16N6O4S Molecular Weight (g/mol): 328.35 MDL Number: MFCD01321128 InChI Key: CCERXXCKPHMFBQ-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-(N-hydrazinocarbonylmethyl-N-methyl)aminobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-(N-hydrazinocarbonylmethyl-N-methyl)amino-2,1,3-benzoxadiazole PubChem CID: 44630077 IUPAC Name: 7-{[(hydrazinecarbonyl)methyl](methyl)amino}-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(N(C)CC(=O)NN)C2=NON=C12

PubChem CID 44630077
CAS 179951-63-4
Molecular Weight (g/mol) 328.35
MDL Number MFCD01321128
SMILES CN(C)S(=O)(=O)C1=CC=C(N(C)CC(=O)NN)C2=NON=C12
Synonym 4-(N,N-Dimethylaminosulfonyl)-7-(N-hydrazinocarbonylmethyl-N-methyl)aminobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-(N-hydrazinocarbonylmethyl-N-methyl)amino-2,1,3-benzoxadiazole
IUPAC Name 7-{[(hydrazinecarbonyl)methyl](methyl)amino}-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key CCERXXCKPHMFBQ-UHFFFAOYSA-N
Molecular Formula C11H16N6O4S
9

1-Hexyl-3-methylimidazolium Iodide 98.0+%, TCI America™

CAS: 178631-05-5 Molecular Formula: C10H19IN2 Molecular Weight (g/mol): 294.18 MDL Number: MFCD12964976 InChI Key: CZIUVCSYOGFUPH-UHFFFAOYSA-M Synonym: 1-hexyl-3-methylimidazolium iodide,1-hexyl-3-methyl-1h-imidazol-3-ium iodide,1-n-hexyl-3-methylimidazolium iodide,dsstox_cid_27927,dsstox_rid_82680,dsstox_gsid_47951,1-methyl-3-hexylimidazolium iodide,1-hexyl-3-me-thylimidazolium iodide,1h-imidazolium,1-hexyl-3-methyl-,iodide,1-hexyl-3-methylimidazolium iodide hplc PubChem CID: 12036651 IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;iodide SMILES: CCCCCCN1C=C[N+](=C1)C.[I-]

PubChem CID 12036651
CAS 178631-05-5
Molecular Weight (g/mol) 294.18
MDL Number MFCD12964976
SMILES CCCCCCN1C=C[N+](=C1)C.[I-]
Synonym 1-hexyl-3-methylimidazolium iodide,1-hexyl-3-methyl-1h-imidazol-3-ium iodide,1-n-hexyl-3-methylimidazolium iodide,dsstox_cid_27927,dsstox_rid_82680,dsstox_gsid_47951,1-methyl-3-hexylimidazolium iodide,1-hexyl-3-me-thylimidazolium iodide,1h-imidazolium,1-hexyl-3-methyl-,iodide,1-hexyl-3-methylimidazolium iodide hplc
IUPAC Name 1-hexyl-3-methylimidazol-3-ium;iodide
InChI Key CZIUVCSYOGFUPH-UHFFFAOYSA-M
Molecular Formula C10H19IN2
10

1-Ethyl-3-methylimidazolium Dicyanamide 97.0+%, TCI America™

CAS: 370865-89-7 Molecular Formula: C8H11N5 Molecular Weight (g/mol): 177.211 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
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
11

1,3-Dimethylimidazolium Methyl Sulfate 98.0+%, TCI America™

CAS: 97345-90-9 Molecular Formula: C6H12N2O4S Molecular Weight (g/mol): 208.232 MDL Number: MFCD03453276 InChI Key: WOKQGMYCUGJNIJ-UHFFFAOYSA-M PubChem CID: 12075598 IUPAC Name: 1,3-dimethylimidazol-1-ium;methyl sulfate SMILES: CN1C=C[N+](=C1)C.COS(=O)(=O)[O-]

PubChem CID 12075598
CAS 97345-90-9
Molecular Weight (g/mol) 208.232
MDL Number MFCD03453276
SMILES CN1C=C[N+](=C1)C.COS(=O)(=O)[O-]
IUPAC Name 1,3-dimethylimidazol-1-ium;methyl sulfate
InChI Key WOKQGMYCUGJNIJ-UHFFFAOYSA-M
Molecular Formula C6H12N2O4S
12

Sulfamethoxazole 98.0+%, TCI America™

CAS: 723-46-6 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.276 MDL Number: MFCD00010546 InChI Key: JLKIGFTWXXRPMT-UHFFFAOYSA-N Synonym: sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin PubChem CID: 5329 ChEBI: CHEBI:9332 IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5329
CAS 723-46-6
Molecular Weight (g/mol) 253.276
ChEBI CHEBI:9332
MDL Number MFCD00010546
SMILES CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin
IUPAC Name 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
InChI Key JLKIGFTWXXRPMT-UHFFFAOYSA-N
Molecular Formula C10H11N3O3S
13

1-Ethyl-3-methylimidazolium Thiocyanate 98.0+%, TCI America™

CAS: 331717-63-6 Molecular Formula: C7H11N3S Molecular Weight (g/mol): 169.246 MDL Number: MFCD06798182 InChI Key: VASPYXGQVWPGAB-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium thiocyanate,basionics™ vs 01,dsstox_cid_27860,dsstox_rid_82613,dsstox_gsid_47884,1-methyl-3-ethylimidazolium thiocyanate,1-ethyl-3-methyl imidazolium thio-cyanate,1-ethyl-3-methyl-1h-imidazol-3-ium thiocyanate,1-ethyl-3-methylimidazolium thiocyanate h-nmr, hplc,1-ethyl-3-methylimidazolium thiocyanate, for electrochemistry t PubChem CID: 16211115 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;thiocyanate SMILES: CCN1C=C[N+](=C1)C.C(#N)[S-]

PubChem CID 16211115
CAS 331717-63-6
Molecular Weight (g/mol) 169.246
MDL Number MFCD06798182
SMILES CCN1C=C[N+](=C1)C.C(#N)[S-]
Synonym 1-ethyl-3-methylimidazolium thiocyanate,basionics™ vs 01,dsstox_cid_27860,dsstox_rid_82613,dsstox_gsid_47884,1-methyl-3-ethylimidazolium thiocyanate,1-ethyl-3-methyl imidazolium thio-cyanate,1-ethyl-3-methyl-1h-imidazol-3-ium thiocyanate,1-ethyl-3-methylimidazolium thiocyanate h-nmr, hplc,1-ethyl-3-methylimidazolium thiocyanate, for electrochemistry t
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;thiocyanate
InChI Key VASPYXGQVWPGAB-UHFFFAOYSA-M
Molecular Formula C7H11N3S
14

1-Decyl-3-methylimidazolium Chloride 96.0+%, TCI America™

CAS: 171058-18-7 Molecular Formula: C14H27ClN2 Molecular Weight (g/mol): 258.834 MDL Number: MFCD03427605 InChI Key: HTZVLLVRJHAJJF-UHFFFAOYSA-M PubChem CID: 2734225 ChEBI: CHEBI:61348 IUPAC Name: 1-decyl-3-methylimidazol-3-ium;chloride SMILES: CCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]

PubChem CID 2734225
CAS 171058-18-7
Molecular Weight (g/mol) 258.834
ChEBI CHEBI:61348
MDL Number MFCD03427605
SMILES CCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]
IUPAC Name 1-decyl-3-methylimidazol-3-ium;chloride
InChI Key HTZVLLVRJHAJJF-UHFFFAOYSA-M
Molecular Formula C14H27ClN2
15

1-Butyl-3-methylimidazolium Tricyanomethanide 98.0+%, TCI America™

CAS: 878027-73-7 Molecular Formula: C12H15N5 MDL Number: MFCD09038877

CAS 878027-73-7
MDL Number MFCD09038877
Molecular Formula C12H15N5