N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C19H20N4O — CID 2107599

IUPACN-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCC(C)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-14(2)13-20-19(24)17-21-18(15-9-5-3-6-10-15)23(22-17)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,20,24)
InChIKeyOFPKDHOKDBYJTD-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.32
Rot. Bonds5

About N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2107599) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID2107599
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCC(C)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-14(2)13-20-19(24)17-21-18(15-9-5-3-6-10-15)23(22-17)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,20,24)
InChIKeyOFPKDHOKDBYJTD-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.32
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
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
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
N-(2,4-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 995142
N-(2,6-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 1147433

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 2107599) is N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CC(C)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is OFPKDHOKDBYJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(2)13-20-19(24)17-21-18(15-9-5-3-6-10-15)23(22-17)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,20,24).
What are the key properties of N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2107599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).