4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile

C14H11N5S — CID 17469534

IUPAC4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2nnc3ccccn23)n1
InChIInChI=1S/C14H11N5S/c1-9-7-10(2)16-13(11(9)8-15)20-14-18-17-12-5-3-4-6-19(12)14/h3-7H,1-2H3
InChIKeyWTGINKWTARVLHY-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.76
Rot. Bonds2

About 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile

4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile (PubChem CID 17469534) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
PubChem CID17469534
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2nnc3ccccn23)n1
InChIInChI=1S/C14H11N5S/c1-9-7-10(2)16-13(11(9)8-15)20-14-18-17-12-5-3-4-6-19(12)14/h3-7H,1-2H3
InChIKeyWTGINKWTARVLHY-UHFFFAOYSA-N
XLogP2.76
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile (CID 17469534) is 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Sc2nnc3ccccn23)n1.
What is the InChIKey of 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is WTGINKWTARVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-9-7-10(2)16-13(11(9)8-15)20-14-18-17-12-5-3-4-6-19(12)14/h3-7H,1-2H3.
What are the key properties of 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile?
4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 17469534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).