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

C11H6F2N4O — CID 15988411

IUPAC7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1c2nncn2ccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H6F2N4O/c12-8-2-1-7(5-9(8)13)17-4-3-16-6-14-15-10(16)11(17)18/h1-6H
InChIKeyBJPGXVFGUSJZCD-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.16
Rot. Bonds1

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

7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 15988411) has the molecular formula C11H6F2N4O and a molecular weight of 248.19 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID15988411
Molecular FormulaC11H6F2N4O
Molecular Weight248.19 g/mol
Exact Mass248.05
IUPAC Name7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1c2nncn2ccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H6F2N4O/c12-8-2-1-7(5-9(8)13)17-4-3-16-6-14-15-10(16)11(17)18/h1-6H
InChIKeyBJPGXVFGUSJZCD-UHFFFAOYSA-N
XLogP1.16
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 15988411) is 7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is O=c1c2nncn2ccn1-c1ccc(F)c(F)c1.
What is the InChIKey of 7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is BJPGXVFGUSJZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N4O/c12-8-2-1-7(5-9(8)13)17-4-3-16-6-14-15-10(16)11(17)18/h1-6H.
What are the key properties of 7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 248.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 15988411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).