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

C16H14N4O — CID 6473223

IUPAC1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)20-16(12-5-3-2-4-6-12)18-15(19-20)14(17)21/h2-10H,1H3,(H2,17,21)
InChIKeyWMROYHNZVJYBCB-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.34
Rot. Bonds3

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

1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 6473223) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID6473223
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)20-16(12-5-3-2-4-6-12)18-15(19-20)14(17)21/h2-10H,1H3,(H2,17,21)
InChIKeyWMROYHNZVJYBCB-UHFFFAOYSA-N
XLogP2.34
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 6473223) is 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is WMROYHNZVJYBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)20-16(12-5-3-2-4-6-12)18-15(19-20)14(17)21/h2-10H,1H3,(H2,17,21).
What are the key properties of 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 6473223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).