2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one

C10H9N3OS — CID 2767301

IUPAC2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESC=CCSc1nc(=O)n2ccccc2n1
InChIInChI=1S/C10H9N3OS/c1-2-7-15-9-11-8-5-3-4-6-13(8)10(14)12-9/h2-6H,1,7H2
InChIKeyHSDCFSHYZPSSNF-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.37
Rot. Bonds3

About 2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one

2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 2767301) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID2767301
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESC=CCSc1nc(=O)n2ccccc2n1
InChIInChI=1S/C10H9N3OS/c1-2-7-15-9-11-8-5-3-4-6-13(8)10(14)12-9/h2-6H,1,7H2
InChIKeyHSDCFSHYZPSSNF-UHFFFAOYSA-N
XLogP1.37
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-prop-2-enylsulfanylpyrido[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-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one (CID 2767301) is 2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one is C=CCSc1nc(=O)n2ccccc2n1.
What is the InChIKey of 2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is HSDCFSHYZPSSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-2-7-15-9-11-8-5-3-4-6-13(8)10(14)12-9/h2-6H,1,7H2.
What are the key properties of 2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 219.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 2767301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).