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

C12H9FN4O — CID 45106030

IUPAC7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12
InChIInChI=1S/C12H9FN4O/c1-8-14-15-11-12(18)17(6-5-16(8)11)10-4-2-3-9(13)7-10/h2-7H,1H3
InChIKeyYYXHTIDOEHCARN-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.33
Rot. Bonds1

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

7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 45106030) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID45106030
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12
InChIInChI=1S/C12H9FN4O/c1-8-14-15-11-12(18)17(6-5-16(8)11)10-4-2-3-9(13)7-10/h2-7H,1H3
InChIKeyYYXHTIDOEHCARN-UHFFFAOYSA-N
XLogP1.33
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 45106030) is 7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12.
What is the InChIKey of 7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is YYXHTIDOEHCARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-8-14-15-11-12(18)17(6-5-16(8)11)10-4-2-3-9(13)7-10/h2-7H,1H3.
What are the key properties of 7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 244.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 45106030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).