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

C14H13FN4O — CID 42585058

IUPAC7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCCc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12
InChIInChI=1S/C14H13FN4O/c1-2-3-12-16-17-13-14(20)18(8-9-19(12)13)11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3
InChIKeyVSBJRLIEUPWSCI-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.97
Rot. Bonds3

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

7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 42585058) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID42585058
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCCc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12
InChIInChI=1S/C14H13FN4O/c1-2-3-12-16-17-13-14(20)18(8-9-19(12)13)11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3
InChIKeyVSBJRLIEUPWSCI-UHFFFAOYSA-N
XLogP1.97
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 42585058) is 7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCCc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12.
What is the InChIKey of 7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is VSBJRLIEUPWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-2-3-12-16-17-13-14(20)18(8-9-19(12)13)11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3.
What are the key properties of 7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 272.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 42585058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).