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

C13H8N4 — CID 83394379

IUPAC4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2nnc3ccccn23)cc1
InChIInChI=1S/C13H8N4/c14-9-10-4-6-11(7-5-10)13-16-15-12-3-1-2-8-17(12)13/h1-8H
InChIKeyVNGXHJRHLPDRSK-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.27
Rot. Bonds1

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

4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile (PubChem CID 83394379) has the molecular formula C13H8N4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
PubChem CID83394379
Molecular FormulaC13H8N4
Molecular Weight220.24 g/mol
Exact Mass220.07
IUPAC Name4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2nnc3ccccn23)cc1
InChIInChI=1S/C13H8N4/c14-9-10-4-6-11(7-5-10)13-16-15-12-3-1-2-8-17(12)13/h1-8H
InChIKeyVNGXHJRHLPDRSK-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

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Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile (CID 83394379) is 4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile is N#Cc1ccc(-c2nnc3ccccn23)cc1.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile?
The InChIKey is VNGXHJRHLPDRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4/c14-9-10-4-6-11(7-5-10)13-16-15-12-3-1-2-8-17(12)13/h1-8H.
What are the key properties of 4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile?
4-([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 4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 83394379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).