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

C22H18N4O2 — CID 4849380

IUPACN-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C22H18N4O2/c1-28-19-14-8-11-17(15-19)23-22(27)20-24-21(16-9-4-2-5-10-16)26(25-20)18-12-6-3-7-13-18/h2-15H,1H3,(H,23,27)
InChIKeyBQUXQOKIYQFCJB-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.20
Rot. Bonds5

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

N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 4849380) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID4849380
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C22H18N4O2/c1-28-19-14-8-11-17(15-19)23-22(27)20-24-21(16-9-4-2-5-10-16)26(25-20)18-12-6-3-7-13-18/h2-15H,1H3,(H,23,27)
InChIKeyBQUXQOKIYQFCJB-UHFFFAOYSA-N
XLogP4.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 50745403
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 34778567
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)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 17052437
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55826182
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 50745535
N-(5-carbamoyl-2-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55783247
N-[3-(dimethylamino)propyl]-5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 17052442

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 4849380) is N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is BQUXQOKIYQFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-19-14-8-11-17(15-19)23-22(27)20-24-21(16-9-4-2-5-10-16)26(25-20)18-12-6-3-7-13-18/h2-15H,1H3,(H,23,27).
What are the key properties of N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 4849380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).