2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one

C15H8FN3O — CID 54409839

IUPAC2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccc(F)cc3)nn21
InChIInChI=1S/C15H8FN3O/c16-10-7-5-9(6-8-10)13-17-14-11-3-1-2-4-12(11)15(20)19(14)18-13/h1-8H
InChIKeyVTIISJOWZYDYNM-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.75
Rot. Bonds1

About 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one

2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one (PubChem CID 54409839) has the molecular formula C15H8FN3O and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one
PubChem CID54409839
Molecular FormulaC15H8FN3O
Molecular Weight265.25 g/mol
Exact Mass265.07
IUPAC Name2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccc(F)cc3)nn21
InChIInChI=1S/C15H8FN3O/c16-10-7-5-9(6-8-10)13-17-14-11-3-1-2-4-12(11)15(20)19(14)18-13/h1-8H
InChIKeyVTIISJOWZYDYNM-UHFFFAOYSA-N
XLogP2.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one (CID 54409839) is 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one is O=C1c2ccccc2-c2nc(-c3ccc(F)cc3)nn21.
What is the InChIKey of 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one?
The InChIKey is VTIISJOWZYDYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3O/c16-10-7-5-9(6-8-10)13-17-14-11-3-1-2-4-12(11)15(20)19(14)18-13/h1-8H.
What are the key properties of 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one?
2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one has a molecular weight of 265.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-b]isoindol-5-one is sourced from PubChem (CID 54409839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).