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

C25H24N4O — CID 42692774

IUPAC1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)nc2-c2ccccc2)c1
InChIInChI=1S/C25H24N4O/c1-17(2)19-12-14-21(15-13-19)26-25(30)23-27-24(20-9-5-4-6-10-20)29(28-23)22-11-7-8-18(3)16-22/h4-17H,1-3H3,(H,26,30)
InChIKeySOACMLZKQXAKPH-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.62
Rot. Bonds5

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

1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692774) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692774
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)nc2-c2ccccc2)c1
InChIInChI=1S/C25H24N4O/c1-17(2)19-12-14-21(15-13-19)26-25(30)23-27-24(20-9-5-4-6-10-20)29(28-23)22-11-7-8-18(3)16-22/h4-17H,1-3H3,(H,26,30)
InChIKeySOACMLZKQXAKPH-UHFFFAOYSA-N
XLogP5.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42693035
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692756
5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880997
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55363226
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 42692774) is 1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)nc2-c2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is SOACMLZKQXAKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-17(2)19-12-14-21(15-13-19)26-25(30)23-27-24(20-9-5-4-6-10-20)29(28-23)22-11-7-8-18(3)16-22/h4-17H,1-3H3,(H,26,30).
What are the key properties of 1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).