5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H7FN4O — CID 69408513

IUPAC5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cccc(F)c2)nc2nc[nH]n12
InChIInChI=1S/C11H7FN4O/c12-8-3-1-2-7(4-8)9-5-10(17)16-11(15-9)13-6-14-16/h1-6H,(H,13,14,15)
InChIKeyMGYGUMCRNXMZBB-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.22
Rot. Bonds1

About 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 69408513) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID69408513
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC Name5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cccc(F)c2)nc2nc[nH]n12
InChIInChI=1S/C11H7FN4O/c12-8-3-1-2-7(4-8)9-5-10(17)16-11(15-9)13-6-14-16/h1-6H,(H,13,14,15)
InChIKeyMGYGUMCRNXMZBB-UHFFFAOYSA-N
XLogP1.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 69408513) is 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2cccc(F)c2)nc2nc[nH]n12.
What is the InChIKey of 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MGYGUMCRNXMZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-8-3-1-2-7(4-8)9-5-10(17)16-11(15-9)13-6-14-16/h1-6H,(H,13,14,15).
What are the key properties of 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 230.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 69408513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).