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

C18H19N5O — CID 3243127

IUPAC5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1
InChIInChI=1S/C18H19N5O/c1-11-4-6-14(7-5-11)20-18(24)16-17(19)23(22-21-16)15-9-12(2)8-13(3)10-15/h4-10H,19H2,1-3H3,(H,20,24)
InChIKeyKQDNUZMGJAURJN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.03
Rot. Bonds3

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

5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 3243127) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide
PubChem CID3243127
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1
InChIInChI=1S/C18H19N5O/c1-11-4-6-14(7-5-11)20-18(24)16-17(19)23(22-21-16)15-9-12(2)8-13(3)10-15/h4-10H,19H2,1-3H3,(H,20,24)
InChIKeyKQDNUZMGJAURJN-UHFFFAOYSA-N
XLogP3.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide (CID 3243127) is 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1.
What is the InChIKey of 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is KQDNUZMGJAURJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-4-6-14(7-5-11)20-18(24)16-17(19)23(22-21-16)15-9-12(2)8-13(3)10-15/h4-10H,19H2,1-3H3,(H,20,24).
What are the key properties of 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide?
5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,5-dimethylphenyl)-N-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 3243127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).