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

C17H16N4O — CID 15990151

IUPACN-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H16N4O/c1-12-8-13(2)10-14(9-12)19-17(22)16-18-11-21(20-16)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,22)
InChIKeyNACXUVGHBUAOIF-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.14
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 15990151) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID15990151
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H16N4O/c1-12-8-13(2)10-14(9-12)19-17(22)16-18-11-21(20-16)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,22)
InChIKeyNACXUVGHBUAOIF-UHFFFAOYSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 15990151) is N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is Cc1cc(C)cc(NC(=O)c2ncn(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is NACXUVGHBUAOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-8-13(2)10-14(9-12)19-17(22)16-18-11-21(20-16)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,22).
What are the key properties of N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15990151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).