2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C14H11FN4O2 — CID 66272831

IUPAC2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cc1ccccc1F)Cn1nc2cnccn2c1=O
InChIInChI=1S/C14H11FN4O2/c15-12-4-2-1-3-10(12)7-11(20)9-19-14(21)18-6-5-16-8-13(18)17-19/h1-6,8H,7,9H2
InChIKeyVUFLLLLPWWZTSE-UHFFFAOYSA-N
MW286.27 g/mol
LogP0.84
Rot. Bonds4

About 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272831) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272831
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cc1ccccc1F)Cn1nc2cnccn2c1=O
InChIInChI=1S/C14H11FN4O2/c15-12-4-2-1-3-10(12)7-11(20)9-19-14(21)18-6-5-16-8-13(18)17-19/h1-6,8H,7,9H2
InChIKeyVUFLLLLPWWZTSE-UHFFFAOYSA-N
XLogP0.84
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-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-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272831) is 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(Cc1ccccc1F)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is VUFLLLLPWWZTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-12-4-2-1-3-10(12)7-11(20)9-19-14(21)18-6-5-16-8-13(18)17-19/h1-6,8H,7,9H2.
What are the key properties of 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 286.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).