4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline

C20H13FN6O — CID 57406947

IUPAC4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
SMILESFc1ccc(-c2cnc3nnc(COc4ccnc5ccccc45)n3n2)cc1
InChIInChI=1S/C20H13FN6O/c21-14-7-5-13(6-8-14)17-11-23-20-25-24-19(27(20)26-17)12-28-18-9-10-22-16-4-2-1-3-15(16)18/h1-11H,12H2
InChIKeyUQWNKCFIOZBNQK-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.45
Rot. Bonds4

About 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline

4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline (PubChem CID 57406947) has the molecular formula C20H13FN6O and a molecular weight of 372.36 g/mol. Its IUPAC name is 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline.

Molecular Properties

Compound Name4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
PubChem CID57406947
Molecular FormulaC20H13FN6O
Molecular Weight372.36 g/mol
Exact Mass372.11
IUPAC Name4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
SMILESFc1ccc(-c2cnc3nnc(COc4ccnc5ccccc45)n3n2)cc1
InChIInChI=1S/C20H13FN6O/c21-14-7-5-13(6-8-14)17-11-23-20-25-24-19(27(20)26-17)12-28-18-9-10-22-16-4-2-1-3-15(16)18/h1-11H,12H2
InChIKeyUQWNKCFIOZBNQK-UHFFFAOYSA-N
XLogP3.45
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline 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 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline?
The IUPAC name of 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline (CID 57406947) is 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline.
What is the SMILES notation for 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline?
The canonical SMILES for 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline is Fc1ccc(-c2cnc3nnc(COc4ccnc5ccccc45)n3n2)cc1.
What is the InChIKey of 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline?
The InChIKey is UQWNKCFIOZBNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O/c21-14-7-5-13(6-8-14)17-11-23-20-25-24-19(27(20)26-17)12-28-18-9-10-22-16-4-2-1-3-15(16)18/h1-11H,12H2.
What are the key properties of 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline?
4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline has a molecular weight of 372.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline is sourced from PubChem (CID 57406947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).