3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

C11H6Br2N4S — CID 113413907

IUPAC3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cnc(Sc2nnc3ccccn23)c(Br)c1
InChIInChI=1S/C11H6Br2N4S/c12-7-5-8(13)10(14-6-7)18-11-16-15-9-3-1-2-4-17(9)11/h1-6H
InChIKeyGJSJHUFWWWPOFL-UHFFFAOYSA-N
MW386.07 g/mol
LogP3.80
Rot. Bonds2

About 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 113413907) has the molecular formula C11H6Br2N4S and a molecular weight of 386.07 g/mol. Its IUPAC name is 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID113413907
Molecular FormulaC11H6Br2N4S
Molecular Weight386.07 g/mol
Exact Mass383.87
IUPAC Name3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cnc(Sc2nnc3ccccn23)c(Br)c1
InChIInChI=1S/C11H6Br2N4S/c12-7-5-8(13)10(14-6-7)18-11-16-15-9-3-1-2-4-17(9)11/h1-6H
InChIKeyGJSJHUFWWWPOFL-UHFFFAOYSA-N
XLogP3.80
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.07
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[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-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 113413907) is 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is Brc1cnc(Sc2nnc3ccccn23)c(Br)c1.
What is the InChIKey of 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GJSJHUFWWWPOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N4S/c12-7-5-8(13)10(14-6-7)18-11-16-15-9-3-1-2-4-17(9)11/h1-6H.
What are the key properties of 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 386.07 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 113413907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).