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

C13H8FN3O — CID 15209202

IUPAC2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(-c2ccc(F)cc2)nc2ccccn12
InChIInChI=1S/C13H8FN3O/c14-10-6-4-9(5-7-10)12-15-11-3-1-2-8-17(11)13(18)16-12/h1-8H
InChIKeyHSBOYJUIQAUCJN-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.90
Rot. Bonds1

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

2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 15209202) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID15209202
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(-c2ccc(F)cc2)nc2ccccn12
InChIInChI=1S/C13H8FN3O/c14-10-6-4-9(5-7-10)12-15-11-3-1-2-8-17(11)13(18)16-12/h1-8H
InChIKeyHSBOYJUIQAUCJN-UHFFFAOYSA-N
XLogP1.90
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one (CID 15209202) is 2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one is O=c1nc(-c2ccc(F)cc2)nc2ccccn12.
What is the InChIKey of 2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is HSBOYJUIQAUCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/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-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one?
2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 241.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 15209202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).