3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole

C214H318F2N62O7 — CID 158094741

IUPAC3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole
SMILESCC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2c1ccn2CC(=O)O.CC(C)(C)c1cn(-c2ccccc2F)nn1.CC(C)(C)c1cnnn1C1=CCCC=C1F.CC(C)(C)c1nncn1-c1ccccc1.CC(C)(C)c1nncn1-c1ccn[nH]1.CC(C)(C)c1nncn1C(C)(C)C.CC(C)n1cc(C(C)(C)C)nn1.CC(C)n1cnnc1C(C)(C)C.CC(C)n1nccc1C(C)(C)C.CCn1cnnc1C(C)(C)C.COc1ccccc1-n1cnnc1C(C)(C)C.COc1cn(O)c2nccc-2c1C(C)(C)C.COc1ncccc1C(C)(C)C.Cc1cc(-n2cnnc2C(C)(C)C)n[nH]1.Cc1cc(-n2cnnc2C(C)(C)C)no1.Cc1cccnc1-n1cnnc1C(C)(C)C.Cc1cn(C(C)C)c(C(C)(C)C)n1.Cn1ccc(-n2cnnc2C(C)(C)C)n1.Cn1cccc1-n1cnnc1C(C)(C)C
InChIInChI=1S/C13H17N3O.C13H16N2O2.C12H14FN3.C12H16FN3.C12H16N4.C12H15N3.C12H16N2O2.C11H16N4.C11H14N2.C11H20N2.2C10H15N5.C10H14N4O.C10H19N3.C10H18N2.C10H15NO.C9H13N5.2C9H17N3.C8H15N3/c1-13(2,3)12-15-14-9-16(12)10-7-5-6-8-11(10)17-4;1-13(2,3)10-4-6-14-12-9(10)5-7-15(12)8-11(16)17;1-12(2,3)11-8-16(15-14-11)10-7-5-4-6-9(10)13;1-12(2,3)11-8-14-15-16(11)10-7-5-4-6-9(10)13;1-9-6-5-7-13-10(9)16-8-14-15-11(16)12(2,3)4;1-12(2,3)11-14-13-9-15(11)10-7-5-4-6-8-10;1-12(2,3)10-8-5-6-13-11(8)14(15)7-9(10)16-4;1-11(2,3)10-13-12-8-15(10)9-6-5-7-14(9)4;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-8(2)13-7-9(3)12-10(13)11(4,5)6;1-7-5-8(13-12-7)15-6-11-14-9(15)10(2,3)4;1-10(2,3)9-12-11-7-15(9)8-5-6-14(4)13-8;1-7-5-8(13-15-7)14-6-11-12-9(14)10(2,3)4;1-9(2,3)8-12-11-7-13(8)10(4,5)6;1-8(2)12-9(6-7-11-12)10(3,4)5;1-10(2,3)8-6-5-7-11-9(8)12-4;1-9(2,3)8-13-11-6-14(8)7-4-5-10-12-7;1-7(2)12-6-10-11-8(12)9(3,4)5;1-7(2)12-6-8(10-11-12)9(3,4)5;1-5-11-6-9-10-7(11)8(2,3)4/h5-9H,1-4H3;4-7H,8H2,1-3H3,(H,16,17);4-8H,1-3H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;4-9H,1-3H3;5-7,15H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,12,13);7-8H,1-6H3;5-6H,1-4H3,(H,12,13);5-7H,1-4H3;5-6H,1-4H3;7H,1-6H3;6-8H,1-5H3;5-7H,1-4H3;4-6H,1-3H3,(H,10,12);2*6-7H,1-5H3;6H,5H2,1-4H3
InChIKeyXRHFTUTVUDAACU-UHFFFAOYSA-N
MW3909.32 g/mol
LogP45.39
Rot. Bonds20

About 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole

3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole (PubChem CID 158094741) has the molecular formula C214H318F2N62O7 and a molecular weight of 3909.32 g/mol. Its IUPAC name is 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole.

Molecular Properties

Compound Name3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole
PubChem CID158094741
Molecular FormulaC214H318F2N62O7
Molecular Weight3909.32 g/mol
Exact Mass3906.64
IUPAC Name3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole
SMILESCC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2c1ccn2CC(=O)O.CC(C)(C)c1cn(-c2ccccc2F)nn1.CC(C)(C)c1cnnn1C1=CCCC=C1F.CC(C)(C)c1nncn1-c1ccccc1.CC(C)(C)c1nncn1-c1ccn[nH]1.CC(C)(C)c1nncn1C(C)(C)C.CC(C)n1cc(C(C)(C)C)nn1.CC(C)n1cnnc1C(C)(C)C.CC(C)n1nccc1C(C)(C)C.CCn1cnnc1C(C)(C)C.COc1ccccc1-n1cnnc1C(C)(C)C.COc1cn(O)c2nccc-2c1C(C)(C)C.COc1ncccc1C(C)(C)C.Cc1cc(-n2cnnc2C(C)(C)C)n[nH]1.Cc1cc(-n2cnnc2C(C)(C)C)no1.Cc1cccnc1-n1cnnc1C(C)(C)C.Cc1cn(C(C)C)c(C(C)(C)C)n1.Cn1ccc(-n2cnnc2C(C)(C)C)n1.Cn1cccc1-n1cnnc1C(C)(C)C
InChIInChI=1S/C13H17N3O.C13H16N2O2.C12H14FN3.C12H16FN3.C12H16N4.C12H15N3.C12H16N2O2.C11H16N4.C11H14N2.C11H20N2.2C10H15N5.C10H14N4O.C10H19N3.C10H18N2.C10H15NO.C9H13N5.2C9H17N3.C8H15N3/c1-13(2,3)12-15-14-9-16(12)10-7-5-6-8-11(10)17-4;1-13(2,3)10-4-6-14-12-9(10)5-7-15(12)8-11(16)17;1-12(2,3)11-8-16(15-14-11)10-7-5-4-6-9(10)13;1-12(2,3)11-8-14-15-16(11)10-7-5-4-6-9(10)13;1-9-6-5-7-13-10(9)16-8-14-15-11(16)12(2,3)4;1-12(2,3)11-14-13-9-15(11)10-7-5-4-6-8-10;1-12(2,3)10-8-5-6-13-11(8)14(15)7-9(10)16-4;1-11(2,3)10-13-12-8-15(10)9-6-5-7-14(9)4;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-8(2)13-7-9(3)12-10(13)11(4,5)6;1-7-5-8(13-12-7)15-6-11-14-9(15)10(2,3)4;1-10(2,3)9-12-11-7-15(9)8-5-6-14(4)13-8;1-7-5-8(13-15-7)14-6-11-12-9(14)10(2,3)4;1-9(2,3)8-12-11-7-13(8)10(4,5)6;1-8(2)12-9(6-7-11-12)10(3,4)5;1-10(2,3)8-6-5-7-11-9(8)12-4;1-9(2,3)8-13-11-6-14(8)7-4-5-10-12-7;1-7(2)12-6-10-11-8(12)9(3,4)5;1-7(2)12-6-8(10-11-12)9(3,4)5;1-5-11-6-9-10-7(11)8(2,3)4/h5-9H,1-4H3;4-7H,8H2,1-3H3,(H,16,17);4-8H,1-3H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;4-9H,1-3H3;5-7,15H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,12,13);7-8H,1-6H3;5-6H,1-4H3,(H,12,13);5-7H,1-4H3;5-6H,1-4H3;7H,1-6H3;6-8H,1-5H3;5-7H,1-4H3;4-6H,1-3H3,(H,10,12);2*6-7H,1-5H3;6H,5H2,1-4H3
InChIKeyXRHFTUTVUDAACU-UHFFFAOYSA-N
XLogP45.39
TPSA747.04 Ų
H-Bond Donors5
H-Bond Acceptors65
Rotatable Bonds20
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003909.32
LogP ≤ 545.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1065

Analyze 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole?
The IUPAC name of 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole (CID 158094741) is 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole.
What is the SMILES notation for 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole?
The canonical SMILES for 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole is CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2c1ccn2CC(=O)O.CC(C)(C)c1cn(-c2ccccc2F)nn1.CC(C)(C)c1cnnn1C1=CCCC=C1F.CC(C)(C)c1nncn1-c1ccccc1.CC(C)(C)c1nncn1-c1ccn[nH]1.CC(C)(C)c1nncn1C(C)(C)C.CC(C)n1cc(C(C)(C)C)nn1.CC(C)n1cnnc1C(C)(C)C.CC(C)n1nccc1C(C)(C)C.CCn1cnnc1C(C)(C)C.COc1ccccc1-n1cnnc1C(C)(C)C.COc1cn(O)c2nccc-2c1C(C)(C)C.COc1ncccc1C(C)(C)C.Cc1cc(-n2cnnc2C(C)(C)C)n[nH]1.Cc1cc(-n2cnnc2C(C)(C)C)no1.Cc1cccnc1-n1cnnc1C(C)(C)C.Cc1cn(C(C)C)c(C(C)(C)C)n1.Cn1ccc(-n2cnnc2C(C)(C)C)n1.Cn1cccc1-n1cnnc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole?
The InChIKey is XRHFTUTVUDAACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.C13H16N2O2.C12H14FN3.C12H16FN3.C12H16N4.C12H15N3.C12H16N2O2.C11H16N4.C11H14N2.C11H20N2.2C10H15N5.C10H14N4O.C10H19N3.C10H18N2.C10H15NO.C9H13N5.2C9H17N3.C8H15N3/c1-13(2,3)12-15-14-9-16(12)10-7-5-6-8-11(10)17-4;1-13(2,3)10-4-6-14-12-9(10)5-7-15(12)8-11(16)17;1-12(2,3)11-8-16(15-14-11)10-7-5-4-6-9(10)13;1-12(2,3)11-8-14-15-16(11)10-7-5-4-6-9(10)13;1-9-6-5-7-13-10(9)16-8-14-15-11(16)12(2,3)4;1-12(2,3)11-14-13-9-15(11)10-7-5-4-6-8-10;1-12(2,3)10-8-5-6-13-11(8)14(15)7-9(10)16-4;1-11(2,3)10-13-12-8-15(10)9-6-5-7-14(9)4;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-8(2)13-7-9(3)12-10(13)11(4,5)6;1-7-5-8(13-12-7)15-6-11-14-9(15)10(2,3)4;1-10(2,3)9-12-11-7-15(9)8-5-6-14(4)13-8;1-7-5-8(13-15-7)14-6-11-12-9(14)10(2,3)4;1-9(2,3)8-12-11-7-13(8)10(4,5)6;1-8(2)12-9(6-7-11-12)10(3,4)5;1-10(2,3)8-6-5-7-11-9(8)12-4;1-9(2,3)8-13-11-6-14(8)7-4-5-10-12-7;1-7(2)12-6-10-11-8(12)9(3,4)5;1-7(2)12-6-8(10-11-12)9(3,4)5;1-5-11-6-9-10-7(11)8(2,3)4/h5-9H,1-4H3;4-7H,8H2,1-3H3,(H,16,17);4-8H,1-3H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;4-9H,1-3H3;5-7,15H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,12,13);7-8H,1-6H3;5-6H,1-4H3,(H,12,13);5-7H,1-4H3;5-6H,1-4H3;7H,1-6H3;6-8H,1-5H3;5-7H,1-4H3;4-6H,1-3H3,(H,10,12);2*6-7H,1-5H3;6H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole?
3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole has a molecular weight of 3909.32 g/mol, XLogP of 45.39, 20 rotatable bonds, 5 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-ethyl-1,2,4-triazole;5-tert-butyl-1-(6-fluorocyclohexa-1,5-dien-1-yl)triazole;4-tert-butyl-1-(2-fluorophenyl)triazole;4-tert-butyl-7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine;3-tert-butyl-4-(2-methoxyphenyl)-1,2,4-triazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole;3-tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole;3-tert-butyl-4-phenyl-1,2,4-triazole;5-tert-butyl-1-propan-2-ylpyrazole;3-tert-butyl-4-propan-2-yl-1,2,4-triazole;4-tert-butyl-1-propan-2-yltriazole;3-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-(4-tert-butylpyrrolo[2,3-b]pyridin-1-yl)acetic acid;3-(3-tert-butyl-1,2,4-triazol-4-yl)-5-methyl-1,2-oxazole;2-(3-tert-butyl-1,2,4-triazol-4-yl)-3-methylpyridine;3,4-ditert-butyl-1,2,4-triazole is sourced from PubChem (CID 158094741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).