3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one

C12H8FN3O — CID 90064096

IUPAC3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1c2cccn2ncn1-c1ccc(F)cc1
InChIInChI=1S/C12H8FN3O/c13-9-3-5-10(6-4-9)15-8-14-16-7-1-2-11(16)12(15)17/h1-8H
InChIKeyFROALEBRGFEMRQ-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.62
Rot. Bonds1

About 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one

3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 90064096) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID90064096
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1c2cccn2ncn1-c1ccc(F)cc1
InChIInChI=1S/C12H8FN3O/c13-9-3-5-10(6-4-9)15-8-14-16-7-1-2-11(16)12(15)17/h1-8H
InChIKeyFROALEBRGFEMRQ-UHFFFAOYSA-N
XLogP1.62
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 90064096) is 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1c2cccn2ncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is FROALEBRGFEMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-9-3-5-10(6-4-9)15-8-14-16-7-1-2-11(16)12(15)17/h1-8H.
What are the key properties of 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 229.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 90064096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).