3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine

C10H6ClN5S — CID 55126639

IUPAC3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1nccnc1Sc1nnc2ccccn12
InChIInChI=1S/C10H6ClN5S/c11-8-9(13-5-4-12-8)17-10-15-14-7-3-1-2-6-16(7)10/h1-6H
InChIKeyLKWAWELHMKFHRF-UHFFFAOYSA-N
MW263.71 g/mol
LogP2.32
Rot. Bonds2

About 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine

3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 55126639) has the molecular formula C10H6ClN5S and a molecular weight of 263.71 g/mol. Its IUPAC name is 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID55126639
Molecular FormulaC10H6ClN5S
Molecular Weight263.71 g/mol
Exact Mass263.00
IUPAC Name3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1nccnc1Sc1nnc2ccccn12
InChIInChI=1S/C10H6ClN5S/c11-8-9(13-5-4-12-8)17-10-15-14-7-3-1-2-6-16(7)10/h1-6H
InChIKeyLKWAWELHMKFHRF-UHFFFAOYSA-N
XLogP2.32
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine (CID 55126639) is 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine is Clc1nccnc1Sc1nnc2ccccn12.
What is the InChIKey of 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LKWAWELHMKFHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5S/c11-8-9(13-5-4-12-8)17-10-15-14-7-3-1-2-6-16(7)10/h1-6H.
What are the key properties of 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 263.71 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 55126639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).