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

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Related Compounds

4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 83394379
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 71308104
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-(3-chloro-4-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103217881
3-[5-(bromomethyl)-4-phenyl-1,2,4-triazol-3-yl]benzonitrile
CID 115398767
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
CID 82556414
3-(3-bromo-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392943
3-[1-(3-methylphenyl)triazol-4-yl]benzonitrile
CID 122190595
3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393186
3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
CID 11243141

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).