3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

C11H6N4S — CID 105393133

IUPAC3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3cccs3)nnc2c1
InChIInChI=1S/C11H6N4S/c12-7-8-3-4-15-10(6-8)13-14-11(15)9-2-1-5-16-9/h1-6H
InChIKeyAYMXWWTYSQGZKC-UHFFFAOYSA-N
MW226.26 g/mol
LogP2.33
Rot. Bonds1

About 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 105393133) has the molecular formula C11H6N4S and a molecular weight of 226.26 g/mol. Its IUPAC name is 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID105393133
Molecular FormulaC11H6N4S
Molecular Weight226.26 g/mol
Exact Mass226.03
IUPAC Name3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3cccs3)nnc2c1
InChIInChI=1S/C11H6N4S/c12-7-8-3-4-15-10(6-8)13-14-11(15)9-2-1-5-16-9/h1-6H
InChIKeyAYMXWWTYSQGZKC-UHFFFAOYSA-N
XLogP2.33
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393103
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567151
3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103130033
3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 55267420
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 114040622
3-[(3-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393209
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 139230149
4-thiophen-2-ylbenzene-1,3-dicarbonitrile
CID 76539683
3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzonitrile
CID 29074067

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 105393133) is 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is N#Cc1ccn2c(-c3cccs3)nnc2c1.
What is the InChIKey of 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is AYMXWWTYSQGZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4S/c12-7-8-3-4-15-10(6-8)13-14-11(15)9-2-1-5-16-9/h1-6H.
What are the key properties of 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 226.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 105393133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).