2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one

C13H8ClN3O — CID 15209201

IUPAC2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C13H8ClN3O/c14-10-6-4-9(5-7-10)12-15-11-3-1-2-8-17(11)13(18)16-12/h1-8H
InChIKeyVXONQVHVMYRHAB-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.41
Rot. Bonds1

About 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one

2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 15209201) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID15209201
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C13H8ClN3O/c14-10-6-4-9(5-7-10)12-15-11-3-1-2-8-17(11)13(18)16-12/h1-8H
InChIKeyVXONQVHVMYRHAB-UHFFFAOYSA-N
XLogP2.41
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-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

2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one
CID 15209202
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one
CID 132508794
3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one
CID 24996911
3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one
CID 24996910
2,3-dichloropyrido[1,2-a]pyrimidin-4-one
CID 74890119
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one
CID 67028507
2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one
CID 67547966
4-chloro-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3452000
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one (CID 15209201) is 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one is O=c1nc(-c2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is VXONQVHVMYRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-10-6-4-9(5-7-10)12-15-11-3-1-2-8-17(11)13(18)16-12/h1-8H.
What are the key properties of 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one?
2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 257.68 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 15209201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).