2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C12H8BrClN4 — CID 82566662

IUPAC2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESNc1ccc2nc(-c3cc(Cl)cc(Br)c3)nn2c1
InChIInChI=1S/C12H8BrClN4/c13-8-3-7(4-9(14)5-8)12-16-11-2-1-10(15)6-18(11)17-12/h1-6H,15H2
InChIKeyKLJDICOJVRBMGX-UHFFFAOYSA-N
MW323.58 g/mol
LogP3.39
Rot. Bonds1

About 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine

2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 82566662) has the molecular formula C12H8BrClN4 and a molecular weight of 323.58 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID82566662
Molecular FormulaC12H8BrClN4
Molecular Weight323.58 g/mol
Exact Mass321.96
IUPAC Name2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESNc1ccc2nc(-c3cc(Cl)cc(Br)c3)nn2c1
InChIInChI=1S/C12H8BrClN4/c13-8-3-7(4-9(14)5-8)12-16-11-2-1-10(15)6-18(11)17-12/h1-6H,15H2
InChIKeyKLJDICOJVRBMGX-UHFFFAOYSA-N
XLogP3.39
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine 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 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 82566662) is 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Nc1ccc2nc(-c3cc(Cl)cc(Br)c3)nn2c1.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is KLJDICOJVRBMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4/c13-8-3-7(4-9(14)5-8)12-16-11-2-1-10(15)6-18(11)17-12/h1-6H,15H2.
What are the key properties of 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 323.58 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 82566662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).