N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

C24H22N4O3 — CID 50745726

IUPACN-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)c(OC)c1
InChIInChI=1S/C24H22N4O3/c1-16-9-7-8-12-20(16)28-23(17-10-5-4-6-11-17)26-22(27-28)24(29)25-19-14-13-18(30-2)15-21(19)31-3/h4-15H,1-3H3,(H,25,29)
InChIKeyLBGSZZPPNOFCSX-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.51
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 50745726) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID50745726
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)c(OC)c1
InChIInChI=1S/C24H22N4O3/c1-16-9-7-8-12-20(16)28-23(17-10-5-4-6-11-17)26-22(27-28)24(29)25-19-14-13-18(30-2)15-21(19)31-3/h4-15H,1-3H3,(H,25,29)
InChIKeyLBGSZZPPNOFCSX-UHFFFAOYSA-N
XLogP4.51
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628
2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3964608
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,4-dimethoxyphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17399023
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503219
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 42995676
N-(5-carbamoyl-2-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55783247
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 50745726) is N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is LBGSZZPPNOFCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-9-7-8-12-20(16)28-23(17-10-5-4-6-11-17)26-22(27-28)24(29)25-19-14-13-18(30-2)15-21(19)31-3/h4-15H,1-3H3,(H,25,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 50745726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).