7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C11H9FN4O — CID 3567100

IUPAC7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CC(c2ccc(F)cc2)n2ncnc2N1
InChIInChI=1S/C11H9FN4O/c12-8-3-1-7(2-4-8)9-5-10(17)15-11-13-6-14-16(9)11/h1-4,6,9H,5H2,(H,13,14,15,17)
InChIKeyRPNHQICIRNQMCC-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.35
Rot. Bonds1

About 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 3567100) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID3567100
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CC(c2ccc(F)cc2)n2ncnc2N1
InChIInChI=1S/C11H9FN4O/c12-8-3-1-7(2-4-8)9-5-10(17)15-11-13-6-14-16(9)11/h1-4,6,9H,5H2,(H,13,14,15,17)
InChIKeyRPNHQICIRNQMCC-UHFFFAOYSA-N
XLogP1.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 3567100) is 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is O=C1CC(c2ccc(F)cc2)n2ncnc2N1.
What is the InChIKey of 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is RPNHQICIRNQMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-8-3-1-7(2-4-8)9-5-10(17)15-11-13-6-14-16(9)11/h1-4,6,9H,5H2,(H,13,14,15,17).
What are the key properties of 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 232.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 3567100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).