5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile

C11H12N4S — CID 60626204

IUPAC5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile
SMILESN#CCCCCSc1nnc2ccccn12
InChIInChI=1S/C11H12N4S/c12-7-3-1-5-9-16-11-14-13-10-6-2-4-8-15(10)11/h2,4,6,8H,1,3,5,9H2
InChIKeyBKSLSFHIQFHAJW-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.52
Rot. Bonds5

About 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile

5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile (PubChem CID 60626204) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile.

Molecular Properties

Compound Name5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile
PubChem CID60626204
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile
SMILESN#CCCCCSc1nnc2ccccn12
InChIInChI=1S/C11H12N4S/c12-7-3-1-5-9-16-11-14-13-10-6-2-4-8-15(10)11/h2,4,6,8H,1,3,5,9H2
InChIKeyBKSLSFHIQFHAJW-UHFFFAOYSA-N
XLogP2.52
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile 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 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile?
The IUPAC name of 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile (CID 60626204) is 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile.
What is the SMILES notation for 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile?
The canonical SMILES for 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile is N#CCCCCSc1nnc2ccccn12.
What is the InChIKey of 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile?
The InChIKey is BKSLSFHIQFHAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c12-7-3-1-5-9-16-11-14-13-10-6-2-4-8-15(10)11/h2,4,6,8H,1,3,5,9H2.
What are the key properties of 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile?
5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile has a molecular weight of 232.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile is sourced from PubChem (CID 60626204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).