N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C24H21N5O3 — CID 55573470

IUPACN-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H21N5O3/c1-32-16-21(30)25-18-12-14-19(15-13-18)26-24(31)22-27-23(17-8-4-2-5-9-17)29(28-22)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,25,30)(H,26,31)
InChIKeyWYGBEURLYKVZST-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.77
Rot. Bonds7

About N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 55573470) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID55573470
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H21N5O3/c1-32-16-21(30)25-18-12-14-19(15-13-18)26-24(31)22-27-23(17-8-4-2-5-9-17)29(28-22)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,25,30)(H,26,31)
InChIKeyWYGBEURLYKVZST-UHFFFAOYSA-N
XLogP3.77
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55826182
N-[3-[(2-methoxyacetyl)amino]phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46585012

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 55573470) is N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is COCC(=O)Nc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is WYGBEURLYKVZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-32-16-21(30)25-18-12-14-19(15-13-18)26-24(31)22-27-23(17-8-4-2-5-9-17)29(28-22)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55573470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).