2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

C11H7FN4O — CID 5304820

IUPAC2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]ncn2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C11H7FN4O/c12-8-3-1-7(2-4-8)9-5-10-11(17)14-13-6-16(10)15-9/h1-6H,(H,14,17)
InChIKeyYNIOUVIQGWGEGZ-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.22
Rot. Bonds1

About 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 5304820) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID5304820
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC Name2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]ncn2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C11H7FN4O/c12-8-3-1-7(2-4-8)9-5-10-11(17)14-13-6-16(10)15-9/h1-6H,(H,14,17)
InChIKeyYNIOUVIQGWGEGZ-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 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 5304820) is 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1[nH]ncn2nc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is YNIOUVIQGWGEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-8-3-1-7(2-4-8)9-5-10-11(17)14-13-6-16(10)15-9/h1-6H,(H,14,17).
What are the key properties of 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-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 2-(4-fluorophenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 5304820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).