2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

C12H9FN4O — CID 44895032

IUPAC2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESO=c1n(Cc2ccccc2F)nc2ncccn12
InChIInChI=1S/C12H9FN4O/c13-10-5-2-1-4-9(10)8-17-12(18)16-7-3-6-14-11(16)15-17/h1-7H,8H2
InChIKeyDDZLTTBBQDJURD-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.08
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (PubChem CID 44895032) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
PubChem CID44895032
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESO=c1n(Cc2ccccc2F)nc2ncccn12
InChIInChI=1S/C12H9FN4O/c13-10-5-2-1-4-9(10)8-17-12(18)16-7-3-6-14-11(16)15-17/h1-7H,8H2
InChIKeyDDZLTTBBQDJURD-UHFFFAOYSA-N
XLogP1.08
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-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-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (CID 44895032) is 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is O=c1n(Cc2ccccc2F)nc2ncccn12.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The InChIKey is DDZLTTBBQDJURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c13-10-5-2-1-4-9(10)8-17-12(18)16-7-3-6-14-11(16)15-17/h1-7H,8H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one has a molecular weight of 244.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is sourced from PubChem (CID 44895032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).