3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C12H8N4S — CID 105392697

IUPAC3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(Cc3ccsc3)n2c1
InChIInChI=1S/C12H8N4S/c13-6-10-1-2-11-14-15-12(16(11)7-10)5-9-3-4-17-8-9/h1-4,7-8H,5H2
InChIKeyNSYDLNMUSKOPLH-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.25
Rot. Bonds2

About 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392697) has the molecular formula C12H8N4S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392697
Molecular FormulaC12H8N4S
Molecular Weight240.29 g/mol
Exact Mass240.05
IUPAC Name3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(Cc3ccsc3)n2c1
InChIInChI=1S/C12H8N4S/c13-6-10-1-2-11-14-15-12(16(11)7-10)5-9-3-4-17-8-9/h1-4,7-8H,5H2
InChIKeyNSYDLNMUSKOPLH-UHFFFAOYSA-N
XLogP2.25
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392548
3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392508
3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389874
3-[(3-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392813
3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392560
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392786
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 154751522
1-(2-methylpropyl)-2-(thiophen-3-ylmethyl)benzimidazole-5-carbonitrile
CID 65040709
3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392749
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392564
3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139687

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392697) is 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(Cc3ccsc3)n2c1.
What is the InChIKey of 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is NSYDLNMUSKOPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4S/c13-6-10-1-2-11-14-15-12(16(11)7-10)5-9-3-4-17-8-9/h1-4,7-8H,5H2.
What are the key properties of 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 240.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).