2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine

C13H9N5OS — CID 164576086

IUPAC2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(CSc3nnc4ccccn34)oc2c1
InChIInChI=1S/C13H9N5OS/c1-2-7-18-10(5-1)16-17-13(18)20-8-11-15-12-9(19-11)4-3-6-14-12/h1-7H,8H2
InChIKeyUQMQUDLCVLXZPW-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.56
Rot. Bonds3

About 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine

2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 164576086) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID164576086
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(CSc3nnc4ccccn34)oc2c1
InChIInChI=1S/C13H9N5OS/c1-2-7-18-10(5-1)16-17-13(18)20-8-11-15-12-9(19-11)4-3-6-14-12/h1-7H,8H2
InChIKeyUQMQUDLCVLXZPW-UHFFFAOYSA-N
XLogP2.56
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]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 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine (CID 164576086) is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine is c1cnc2nc(CSc3nnc4ccccn34)oc2c1.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is UQMQUDLCVLXZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c1-2-7-18-10(5-1)16-17-13(18)20-8-11-15-12-9(19-11)4-3-6-14-12/h1-7H,8H2.
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine?
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 283.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 164576086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).