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

C13H10F2N4O — CID 42585055

IUPAC7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12
InChIInChI=1S/C13H10F2N4O/c1-2-11-16-17-12-13(20)18(5-6-19(11)12)8-3-4-9(14)10(15)7-8/h3-7H,2H2,1H3
InChIKeyUQDSZVDQKMDKPH-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.72
Rot. Bonds2

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

7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 42585055) has the molecular formula C13H10F2N4O and a molecular weight of 276.25 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID42585055
Molecular FormulaC13H10F2N4O
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12
InChIInChI=1S/C13H10F2N4O/c1-2-11-16-17-12-13(20)18(5-6-19(11)12)8-3-4-9(14)10(15)7-8/h3-7H,2H2,1H3
InChIKeyUQDSZVDQKMDKPH-UHFFFAOYSA-N
XLogP1.72
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.72
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)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 42585055) is 7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12.
What is the InChIKey of 7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is UQDSZVDQKMDKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O/c1-2-11-16-17-12-13(20)18(5-6-19(11)12)8-3-4-9(14)10(15)7-8/h3-7H,2H2,1H3.
What are the key properties of 7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 276.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 42585055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).