8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

C10H10ClN3S — CID 117146221

IUPAC8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(C3CCSC3)nnc12
InChIInChI=1S/C10H10ClN3S/c11-8-2-1-4-14-9(12-13-10(8)14)7-3-5-15-6-7/h1-2,4,7H,3,5-6H2
InChIKeyPKVQZFJMXUPFRQ-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.60
Rot. Bonds1

About 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146221) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146221
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(C3CCSC3)nnc12
InChIInChI=1S/C10H10ClN3S/c11-8-2-1-4-14-9(12-13-10(8)14)7-3-5-15-6-7/h1-2,4,7H,3,5-6H2
InChIKeyPKVQZFJMXUPFRQ-UHFFFAOYSA-N
XLogP2.60
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117146221) is 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccn2c(C3CCSC3)nnc12.
What is the InChIKey of 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PKVQZFJMXUPFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-8-2-1-4-14-9(12-13-10(8)14)7-3-5-15-6-7/h1-2,4,7H,3,5-6H2.
What are the key properties of 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 239.73 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).