6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one

C15H13ClN4O — CID 50958318

IUPAC6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESCc1nc(-c2cccc(=O)[nH]2)n(-c2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H13ClN4O/c1-9-8-11(16)6-7-13(9)20-15(17-10(2)19-20)12-4-3-5-14(21)18-12/h3-8H,1-2H3,(H,18,21)
InChIKeyUBFWDHYQGJGYNH-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.89
Rot. Bonds2

About 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one

6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one (PubChem CID 50958318) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
PubChem CID50958318
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESCc1nc(-c2cccc(=O)[nH]2)n(-c2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H13ClN4O/c1-9-8-11(16)6-7-13(9)20-15(17-10(2)19-20)12-4-3-5-14(21)18-12/h3-8H,1-2H3,(H,18,21)
InChIKeyUBFWDHYQGJGYNH-UHFFFAOYSA-N
XLogP2.89
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one 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

5-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137196585
1-(4-chloro-2-methylphenyl)-5-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-3-methyl-1,2,4-triazole
CID 95200424
5-amino-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817607
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363545
6-(2,6-difluoro-3-methylphenyl)-1H-pyridin-2-one
CID 106520845
2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
CID 175512322
3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
CID 140582477
ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate
CID 122358417
N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854409
5-tert-butyl-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652305
5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 82119560
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one (CID 50958318) is 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one is Cc1nc(-c2cccc(=O)[nH]2)n(-c2ccc(Cl)cc2C)n1.
What is the InChIKey of 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The InChIKey is UBFWDHYQGJGYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9-8-11(16)6-7-13(9)20-15(17-10(2)19-20)12-4-3-5-14(21)18-12/h3-8H,1-2H3,(H,18,21).
What are the key properties of 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one has a molecular weight of 300.75 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 50958318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).