1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide

C28H32N8O — CID 67918107

IUPAC1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C28H32N8O/c37-28(29-21-8-4-5-9-21)27-30-25(36(33-27)22-10-2-1-3-11-22)18-19-14-16-20(17-15-19)23-12-6-7-13-24(23)26-31-34-35-32-26/h6-7,12-17,21-22H,1-5,8-11,18H2,(H,29,37)(H,31,32,34,35)
InChIKeyBSUCUWPOKQLVRC-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.89
Rot. Bonds7

About 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide

1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 67918107) has the molecular formula C28H32N8O and a molecular weight of 496.62 g/mol. Its IUPAC name is 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
PubChem CID67918107
Molecular FormulaC28H32N8O
Molecular Weight496.62 g/mol
Exact Mass496.27
IUPAC Name1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C28H32N8O/c37-28(29-21-8-4-5-9-21)27-30-25(36(33-27)22-10-2-1-3-11-22)18-19-14-16-20(17-15-19)23-12-6-7-13-24(23)26-31-34-35-32-26/h6-7,12-17,21-22H,1-5,8-11,18H2,(H,29,37)(H,31,32,34,35)
InChIKeyBSUCUWPOKQLVRC-UHFFFAOYSA-N
XLogP4.89
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-cyclohexyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]propan-1-one
CID 19749794
N-cyclohexyl-1-(2,2-dimethylpropyl)-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 67917788
2-[1-cyclohexyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]ethanethial
CID 19750466
5-[2-[4-[[2-cyclohexyl-5-(diethoxymethyl)-1,2,4-triazol-3-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 67917681
5-[2-[4-[[2-cyclohexyl-5-(1,1-diethoxybutyl)-1,2,4-triazol-3-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 67917934
N,1-di(propan-2-yl)-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 67917420
N-ethyl-1-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 67917467
N-cyclohexyl-2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide
CID 90668151
N-butyl-1-(2,2-dimethylpropyl)-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 67917661
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
2-hydroxy-4-phenyl-3-[[1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carbonyl]amino]butanoic acid
CID 67390223
2-[4-[[2-cyclohexyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,2,4-triazol-3-yl]methyl]phenyl]benzoic acid
CID 19749828

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide (CID 67918107) is 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide is O=C(NC1CCCC1)c1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is BSUCUWPOKQLVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O/c37-28(29-21-8-4-5-9-21)27-30-25(36(33-27)22-10-2-1-3-11-22)18-19-14-16-20(17-15-19)23-12-6-7-13-24(23)26-31-34-35-32-26/h6-7,12-17,21-22H,1-5,8-11,18H2,(H,29,37)(H,31,32,34,35).
What are the key properties of 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide?
1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 496.62 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-cyclopentyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 67918107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).