8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline

C9H3BrClFN4 — CID 58476034

IUPAC8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFc1cc(Br)cc2c1nc(Cl)c1nncn12
InChIInChI=1S/C9H3BrClFN4/c10-4-1-5(12)7-6(2-4)16-3-13-15-9(16)8(11)14-7/h1-3H
InChIKeyNKCXBYUFCLCZNC-UHFFFAOYSA-N
MW301.51 g/mol
LogP2.83
Rot. Bonds

About 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline

8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 58476034) has the molecular formula C9H3BrClFN4 and a molecular weight of 301.51 g/mol. Its IUPAC name is 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID58476034
Molecular FormulaC9H3BrClFN4
Molecular Weight301.51 g/mol
Exact Mass299.92
IUPAC Name8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFc1cc(Br)cc2c1nc(Cl)c1nncn12
InChIInChI=1S/C9H3BrClFN4/c10-4-1-5(12)7-6(2-4)16-3-13-15-9(16)8(11)14-7/h1-3H
InChIKeyNKCXBYUFCLCZNC-UHFFFAOYSA-N
XLogP2.83
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline 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 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline (CID 58476034) is 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline is Fc1cc(Br)cc2c1nc(Cl)c1nncn12.
What is the InChIKey of 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is NKCXBYUFCLCZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClFN4/c10-4-1-5(12)7-6(2-4)16-3-13-15-9(16)8(11)14-7/h1-3H.
What are the key properties of 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 301.51 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 58476034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).