3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

C9H6BrN5 — CID 67446300

IUPAC3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1nnc2ccc(-c3cn[nH]c3)cn12
InChIInChI=1S/C9H6BrN5/c10-9-14-13-8-2-1-6(5-15(8)9)7-3-11-12-4-7/h1-5H,(H,11,12)
InChIKeyZHLOPSUAYKKZSA-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.88
Rot. Bonds1

About 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 67446300) has the molecular formula C9H6BrN5 and a molecular weight of 264.09 g/mol. Its IUPAC name is 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID67446300
Molecular FormulaC9H6BrN5
Molecular Weight264.09 g/mol
Exact Mass262.98
IUPAC Name3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1nnc2ccc(-c3cn[nH]c3)cn12
InChIInChI=1S/C9H6BrN5/c10-9-14-13-8-2-1-6(5-15(8)9)7-3-11-12-4-7/h1-5H,(H,11,12)
InChIKeyZHLOPSUAYKKZSA-UHFFFAOYSA-N
XLogP1.88
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine 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-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 67446300) is 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is Brc1nnc2ccc(-c3cn[nH]c3)cn12.
What is the InChIKey of 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZHLOPSUAYKKZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5/c10-9-14-13-8-2-1-6(5-15(8)9)7-3-11-12-4-7/h1-5H,(H,11,12).
What are the key properties of 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 264.09 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 67446300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).