3-(4-fluorophenoxy)-1,2,4-triazine

C9H6FN3O — CID 132849072

IUPAC3-(4-fluorophenoxy)-1,2,4-triazine
SMILESFc1ccc(Oc2nccnn2)cc1
InChIInChI=1S/C9H6FN3O/c10-7-1-3-8(4-2-7)14-9-11-5-6-12-13-9/h1-6H
InChIKeyAIHIFUVJPZWNJD-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.80
Rot. Bonds2

About 3-(4-fluorophenoxy)-1,2,4-triazine

3-(4-fluorophenoxy)-1,2,4-triazine (PubChem CID 132849072) has the molecular formula C9H6FN3O and a molecular weight of 191.16 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1,2,4-triazine
PubChem CID132849072
Molecular FormulaC9H6FN3O
Molecular Weight191.16 g/mol
Exact Mass191.05
IUPAC Name3-(4-fluorophenoxy)-1,2,4-triazine
SMILESFc1ccc(Oc2nccnn2)cc1
InChIInChI=1S/C9H6FN3O/c10-7-1-3-8(4-2-7)14-9-11-5-6-12-13-9/h1-6H
InChIKeyAIHIFUVJPZWNJD-UHFFFAOYSA-N
XLogP1.80
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenoxy)-1,2,4-triazine 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-fluorophenoxy)-1,2,4-triazine?
The IUPAC name of 3-(4-fluorophenoxy)-1,2,4-triazine (CID 132849072) is 3-(4-fluorophenoxy)-1,2,4-triazine.
What is the SMILES notation for 3-(4-fluorophenoxy)-1,2,4-triazine?
The canonical SMILES for 3-(4-fluorophenoxy)-1,2,4-triazine is Fc1ccc(Oc2nccnn2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-1,2,4-triazine?
The InChIKey is AIHIFUVJPZWNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O/c10-7-1-3-8(4-2-7)14-9-11-5-6-12-13-9/h1-6H.
What are the key properties of 3-(4-fluorophenoxy)-1,2,4-triazine?
3-(4-fluorophenoxy)-1,2,4-triazine has a molecular weight of 191.16 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1,2,4-triazine is sourced from PubChem (CID 132849072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).