[2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine

C11H9BrN4S — CID 117132402

IUPAC[2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nc(-c3ccc(Br)s3)nn12
InChIInChI=1S/C11H9BrN4S/c12-9-5-4-8(17-9)11-14-10-3-1-2-7(6-13)16(10)15-11/h1-5H,6,13H2
InChIKeyUWBHQBYQSKURIT-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.68
Rot. Bonds2

About [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine

[2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (PubChem CID 117132402) has the molecular formula C11H9BrN4S and a molecular weight of 309.19 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
PubChem CID117132402
Molecular FormulaC11H9BrN4S
Molecular Weight309.19 g/mol
Exact Mass307.97
IUPAC Name[2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nc(-c3ccc(Br)s3)nn12
InChIInChI=1S/C11H9BrN4S/c12-9-5-4-8(17-9)11-14-10-3-1-2-7(6-13)16(10)15-11/h1-5H,6,13H2
InChIKeyUWBHQBYQSKURIT-UHFFFAOYSA-N
XLogP2.68
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine 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-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The IUPAC name of [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (CID 117132402) is [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is NCc1cccc2nc(-c3ccc(Br)s3)nn12.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The InChIKey is UWBHQBYQSKURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S/c12-9-5-4-8(17-9)11-14-10-3-1-2-7(6-13)16(10)15-11/h1-5H,6,13H2.
What are the key properties of [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
[2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine has a molecular weight of 309.19 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 117132402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).