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

C11H5Cl3N4 — CID 81442362

IUPAC5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3cncc(Cl)n23)c(Cl)c1
InChIInChI=1S/C11H5Cl3N4/c12-6-1-2-7(8(13)3-6)11-17-16-10-5-15-4-9(14)18(10)11/h1-5H
InChIKeyFLDLMRXPAKXAME-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.75
Rot. Bonds1

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

5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81442362) has the molecular formula C11H5Cl3N4 and a molecular weight of 299.55 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81442362
Molecular FormulaC11H5Cl3N4
Molecular Weight299.55 g/mol
Exact Mass297.96
IUPAC Name5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3cncc(Cl)n23)c(Cl)c1
InChIInChI=1S/C11H5Cl3N4/c12-6-1-2-7(8(13)3-6)11-17-16-10-5-15-4-9(14)18(10)11/h1-5H
InChIKeyFLDLMRXPAKXAME-UHFFFAOYSA-N
XLogP3.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(2,4-dichlorophenyl)-[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 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 81442362) is 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine is Clc1ccc(-c2nnc3cncc(Cl)n23)c(Cl)c1.
What is the InChIKey of 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FLDLMRXPAKXAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N4/c12-6-1-2-7(8(13)3-6)11-17-16-10-5-15-4-9(14)18(10)11/h1-5H.
What are the key properties of 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 299.55 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81442362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).