3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C11H10N4S — CID 105392565

IUPAC3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(C3CCCS3)n2c1
InChIInChI=1S/C11H10N4S/c12-6-8-3-4-10-13-14-11(15(10)7-8)9-2-1-5-16-9/h3-4,7,9H,1-2,5H2
InChIKeySKVCHFHXWRPKBI-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.17
Rot. Bonds1

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

3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392565) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392565
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(C3CCCS3)n2c1
InChIInChI=1S/C11H10N4S/c12-6-8-3-4-10-13-14-11(15(10)7-8)9-2-1-5-16-9/h3-4,7,9H,1-2,5H2
InChIKeySKVCHFHXWRPKBI-UHFFFAOYSA-N
XLogP2.17
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392565) is 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(C3CCCS3)n2c1.
What is the InChIKey of 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is SKVCHFHXWRPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-6-8-3-4-10-13-14-11(15(10)7-8)9-2-1-5-16-9/h3-4,7,9H,1-2,5H2.
What are the key properties of 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 230.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).