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

C24H22N4O — CID 50745758

IUPACN-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O/c1-16-9-12-20(13-10-16)28-23(19-7-5-4-6-8-19)26-22(27-28)24(29)25-21-14-11-17(2)15-18(21)3/h4-15H,1-3H3,(H,25,29)
InChIKeyGVSLBJBLATWXBE-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.11
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 50745758) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID50745758
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O/c1-16-9-12-20(13-10-16)28-23(19-7-5-4-6-8-19)26-22(27-28)24(29)25-21-14-11-17(2)15-18(21)3/h4-15H,1-3H3,(H,25,29)
InChIKeyGVSLBJBLATWXBE-UHFFFAOYSA-N
XLogP5.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
N-(5-fluoro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799414
N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55363226
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
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
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578709
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 50745758) is N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccccc2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is GVSLBJBLATWXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16-9-12-20(13-10-16)28-23(19-7-5-4-6-8-19)26-22(27-28)24(29)25-21-14-11-17(2)15-18(21)3/h4-15H,1-3H3,(H,25,29).
What are the key properties of N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 50745758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).