N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide

C20H16N4O — CID 9247075

IUPACN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccc4ccccc4c3)n[nH]2)cc1
InChIInChI=1S/C20H16N4O/c1-13-6-8-15(9-7-13)18-21-20(24-23-18)22-19(25)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3,(H2,21,22,23,24,25)
InChIKeyYQZKCARJZTYLLV-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.19
Rot. Bonds3

About N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide

N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide (PubChem CID 9247075) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
PubChem CID9247075
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccc4ccccc4c3)n[nH]2)cc1
InChIInChI=1S/C20H16N4O/c1-13-6-8-15(9-7-13)18-21-20(24-23-18)22-19(25)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3,(H2,21,22,23,24,25)
InChIKeyYQZKCARJZTYLLV-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-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 N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide (CID 9247075) is N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide is Cc1ccc(-c2nc(NC(=O)c3ccc4ccccc4c3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide?
The InChIKey is YQZKCARJZTYLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-6-8-15(9-7-13)18-21-20(24-23-18)22-19(25)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3,(H2,21,22,23,24,25).
What are the key properties of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide?
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 9247075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).