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

C23H20N4O — CID 4851911

IUPACN-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4O/c1-2-17-11-9-10-16-20(17)24-23(28)21-25-22(18-12-5-3-6-13-18)27(26-21)19-14-7-4-8-15-19/h3-16H,2H2,1H3,(H,24,28)
InChIKeyQQOLOJIFZMRWFY-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.75
Rot. Bonds5

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

N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 4851911) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID4851911
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4O/c1-2-17-11-9-10-16-20(17)24-23(28)21-25-22(18-12-5-3-6-13-18)27(26-21)19-14-7-4-8-15-19/h3-16H,2H2,1H3,(H,24,28)
InChIKeyQQOLOJIFZMRWFY-UHFFFAOYSA-N
XLogP4.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745463
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-(5-fluoro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799414
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745548
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55363226
N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 50745535

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 4851911) is N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CCc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QQOLOJIFZMRWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-17-11-9-10-16-20(17)24-23(28)21-25-22(18-12-5-3-6-13-18)27(26-21)19-14-7-4-8-15-19/h3-16H,2H2,1H3,(H,24,28).
What are the key properties of N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 4851911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).