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

C12H8Br2N4 — CID 107974678

IUPAC3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(-c3cc(Br)cc(Br)c3)n2c1
InChIInChI=1S/C12H8Br2N4/c13-8-3-7(4-9(14)5-8)12-17-16-11-2-1-10(15)6-18(11)12/h1-6H,15H2
InChIKeyWRKLVBMTXZVWLX-UHFFFAOYSA-N
MW368.03 g/mol
LogP3.50
Rot. Bonds1

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

3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 107974678) has the molecular formula C12H8Br2N4 and a molecular weight of 368.03 g/mol. Its IUPAC name is 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID107974678
Molecular FormulaC12H8Br2N4
Molecular Weight368.03 g/mol
Exact Mass365.91
IUPAC Name3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(-c3cc(Br)cc(Br)c3)n2c1
InChIInChI=1S/C12H8Br2N4/c13-8-3-7(4-9(14)5-8)12-17-16-11-2-1-10(15)6-18(11)12/h1-6H,15H2
InChIKeyWRKLVBMTXZVWLX-UHFFFAOYSA-N
XLogP3.50
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.03
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-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 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 107974678) is 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Nc1ccc2nnc(-c3cc(Br)cc(Br)c3)n2c1.
What is the InChIKey of 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is WRKLVBMTXZVWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N4/c13-8-3-7(4-9(14)5-8)12-17-16-11-2-1-10(15)6-18(11)12/h1-6H,15H2.
What are the key properties of 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 368.03 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 107974678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).