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

C14H10N4S — CID 2461523

IUPAC4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile
SMILESN#Cc1ccc(CSc2nnc3ccccn23)cc1
InChIInChI=1S/C14H10N4S/c15-9-11-4-6-12(7-5-11)10-19-14-17-16-13-3-1-2-8-18(13)14/h1-8H,10H2
InChIKeyHRGQOCOLLPDXDV-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.89
Rot. Bonds3

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

4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile (PubChem CID 2461523) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile
PubChem CID2461523
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile
SMILESN#Cc1ccc(CSc2nnc3ccccn23)cc1
InChIInChI=1S/C14H10N4S/c15-9-11-4-6-12(7-5-11)10-19-14-17-16-13-3-1-2-8-18(13)14/h1-8H,10H2
InChIKeyHRGQOCOLLPDXDV-UHFFFAOYSA-N
XLogP2.89
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile (CID 2461523) is 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile is N#Cc1ccc(CSc2nnc3ccccn23)cc1.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile?
The InChIKey is HRGQOCOLLPDXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c15-9-11-4-6-12(7-5-11)10-19-14-17-16-13-3-1-2-8-18(13)14/h1-8H,10H2.
What are the key properties of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile?
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile has a molecular weight of 266.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzonitrile is sourced from PubChem (CID 2461523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).