3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile

C13H8N4 — CID 139230149

IUPAC3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2nnc3ccccn23)c1
InChIInChI=1S/C13H8N4/c14-9-10-4-3-5-11(8-10)13-16-15-12-6-1-2-7-17(12)13/h1-8H
InChIKeyVYHWGCHYTAOTIQ-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.27
Rot. Bonds1

About 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile

3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile (PubChem CID 139230149) has the molecular formula C13H8N4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
PubChem CID139230149
Molecular FormulaC13H8N4
Molecular Weight220.24 g/mol
Exact Mass220.07
IUPAC Name3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2nnc3ccccn23)c1
InChIInChI=1S/C13H8N4/c14-9-10-4-3-5-11(8-10)13-16-15-12-6-1-2-7-17(12)13/h1-8H
InChIKeyVYHWGCHYTAOTIQ-UHFFFAOYSA-N
XLogP2.27
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile 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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile?
The IUPAC name of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile (CID 139230149) is 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile?
The canonical SMILES for 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile is N#Cc1cccc(-c2nnc3ccccn23)c1.
What is the InChIKey of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile?
The InChIKey is VYHWGCHYTAOTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4/c14-9-10-4-3-5-11(8-10)13-16-15-12-6-1-2-7-17(12)13/h1-8H.
What are the key properties of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile?
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 139230149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).