7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C11H7FN4O — CID 22424818

IUPAC7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1c2nncn2ccn1-c1ccc(F)cc1
InChIInChI=1S/C11H7FN4O/c12-8-1-3-9(4-2-8)16-6-5-15-7-13-14-10(15)11(16)17/h1-7H
InChIKeyJSPLESGHGHGCRH-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.02
Rot. Bonds1

About 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 22424818) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID22424818
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC Name7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1c2nncn2ccn1-c1ccc(F)cc1
InChIInChI=1S/C11H7FN4O/c12-8-1-3-9(4-2-8)16-6-5-15-7-13-14-10(15)11(16)17/h1-7H
InChIKeyJSPLESGHGHGCRH-UHFFFAOYSA-N
XLogP1.02
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 22424818) is 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is O=c1c2nncn2ccn1-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is JSPLESGHGHGCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-8-1-3-9(4-2-8)16-6-5-15-7-13-14-10(15)11(16)17/h1-7H.
What are the key properties of 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 230.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 22424818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).