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

C15H13N3OS — CID 7256677

IUPAC2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(SCCc2ccccc2)nc2ccccn12
InChIInChI=1S/C15H13N3OS/c19-15-17-14(16-13-8-4-5-10-18(13)15)20-11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2
InChIKeyIPFYWGJASMBEJW-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.42
Rot. Bonds4

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

2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 7256677) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID7256677
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(SCCc2ccccc2)nc2ccccn12
InChIInChI=1S/C15H13N3OS/c19-15-17-14(16-13-8-4-5-10-18(13)15)20-11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2
InChIKeyIPFYWGJASMBEJW-UHFFFAOYSA-N
XLogP2.42
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-phenylethylsulfanyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one (CID 7256677) is 2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one is O=c1nc(SCCc2ccccc2)nc2ccccn12.
What is the InChIKey of 2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is IPFYWGJASMBEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-15-17-14(16-13-8-4-5-10-18(13)15)20-11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2.
What are the key properties of 2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one?
2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 283.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 7256677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).