3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine

C11H5BrCl2N4 — CID 114024643

IUPAC3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3cncc(Cl)n23)cc1Br
InChIInChI=1S/C11H5BrCl2N4/c12-7-3-6(1-2-8(7)13)11-17-16-10-5-15-4-9(14)18(10)11/h1-5H
InChIKeyJSRPWOGTKLAEPN-UHFFFAOYSA-N
MW344.00 g/mol
LogP3.86
Rot. Bonds1

About 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine

3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 114024643) has the molecular formula C11H5BrCl2N4 and a molecular weight of 344.00 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID114024643
Molecular FormulaC11H5BrCl2N4
Molecular Weight344.00 g/mol
Exact Mass341.91
IUPAC Name3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3cncc(Cl)n23)cc1Br
InChIInChI=1S/C11H5BrCl2N4/c12-7-3-6(1-2-8(7)13)11-17-16-10-5-15-4-9(14)18(10)11/h1-5H
InChIKeyJSRPWOGTKLAEPN-UHFFFAOYSA-N
XLogP3.86
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.00
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine 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-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine (CID 114024643) is 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine is Clc1ccc(-c2nnc3cncc(Cl)n23)cc1Br.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JSRPWOGTKLAEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2N4/c12-7-3-6(1-2-8(7)13)11-17-16-10-5-15-4-9(14)18(10)11/h1-5H.
What are the key properties of 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 344.00 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 114024643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).