N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C20H22N4O — CID 4835789

IUPACN-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCCC(C)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-3-10-15(2)21-20(25)18-22-19(16-11-6-4-7-12-16)24(23-18)17-13-8-5-9-14-17/h4-9,11-15H,3,10H2,1-2H3,(H,21,25)
InChIKeyBBGDLQOUPBGUOJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.85
Rot. Bonds6

About N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 4835789) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID4835789
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCCC(C)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-3-10-15(2)21-20(25)18-22-19(16-11-6-4-7-12-16)24(23-18)17-13-8-5-9-14-17/h4-9,11-15H,3,10H2,1-2H3,(H,21,25)
InChIKeyBBGDLQOUPBGUOJ-UHFFFAOYSA-N
XLogP3.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2082741
N-(2,3-dimethylphenyl)-1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide
CID 2457944
5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3567025
1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-(4-methylcyclohexyl)-1,2,4-triazole-3-carboxamide
CID 44270350
1-benzyl-3-(1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)urea
CID 52935478
1-[3-(5-Cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea
CID 138674558
(3R)-4-cyclopentyl-6-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one
CID 146322270
5-[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-N-[2-(dimethylamino)ethyl]-N-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 146322271
1-(4-Methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473223
N-{[2-(3,5-Dimethyl-4h-1,2,4-Triazol-4-Yl)phenyl]methyl}acetamide
CID 131633051
1,5-diphenyl-N-(2-pyridinyl)-1H-1,2,4-triazole-3-carboxamide
CID 900901
N-(2,5-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 995141

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 4835789) is N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CCCC(C)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is BBGDLQOUPBGUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-10-15(2)21-20(25)18-22-19(16-11-6-4-7-12-16)24(23-18)17-13-8-5-9-14-17/h4-9,11-15H,3,10H2,1-2H3,(H,21,25).
What are the key properties of N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 4835789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).