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

C21H18N4O — CID 9247060

IUPACN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(-c2nc(NC(=O)Cc3cccc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C21H18N4O/c1-14-9-11-16(12-10-14)20-23-21(25-24-20)22-19(26)13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,22,23,24,25,26)
InChIKeyLVMVSWVVKVTSCF-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.11
Rot. Bonds4

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

N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide (PubChem CID 9247060) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
PubChem CID9247060
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(-c2nc(NC(=O)Cc3cccc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C21H18N4O/c1-14-9-11-16(12-10-14)20-23-21(25-24-20)22-19(26)13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,22,23,24,25,26)
InChIKeyLVMVSWVVKVTSCF-UHFFFAOYSA-N
XLogP4.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
CID 9247075
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
CID 115594855
2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
CID 17414942
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide
CID 5046552
2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246817
N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720
(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 27446892
2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzoic acid
CID 113431532
3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 166581420
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide (CID 9247060) is N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide is Cc1ccc(-c2nc(NC(=O)Cc3cccc4ccccc34)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is LVMVSWVVKVTSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-9-11-16(12-10-14)20-23-21(25-24-20)22-19(26)13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide?
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 342.40 g/mol, XLogP of 4.11, 4 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]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9247060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).