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

C13H11FN4O — CID 42585047

IUPAC3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12
InChIInChI=1S/C13H11FN4O/c1-2-11-15-16-12-13(19)17(6-7-18(11)12)10-5-3-4-9(14)8-10/h3-8H,2H2,1H3
InChIKeyYQGQXSPXEWWBNV-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.58
Rot. Bonds2

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

3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 42585047) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID42585047
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12
InChIInChI=1S/C13H11FN4O/c1-2-11-15-16-12-13(19)17(6-7-18(11)12)10-5-3-4-9(14)8-10/h3-8H,2H2,1H3
InChIKeyYQGQXSPXEWWBNV-UHFFFAOYSA-N
XLogP1.58
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 42585047) is 3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12.
What is the InChIKey of 3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is YQGQXSPXEWWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-2-11-15-16-12-13(19)17(6-7-18(11)12)10-5-3-4-9(14)8-10/h3-8H,2H2,1H3.
What are the key properties of 3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 258.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 42585047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).