7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C8H8ClN3O2S — CID 117257860

IUPAC7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCS(=O)(=O)Cc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C8H8ClN3O2S/c1-15(13,14)5-7-10-8-4-6(9)2-3-12(8)11-7/h2-4H,5H2,1H3
InChIKeyILRCLODMWPCEDI-UHFFFAOYSA-N
MW245.69 g/mol
LogP0.93
Rot. Bonds2

About 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117257860) has the molecular formula C8H8ClN3O2S and a molecular weight of 245.69 g/mol. Its IUPAC name is 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117257860
Molecular FormulaC8H8ClN3O2S
Molecular Weight245.69 g/mol
Exact Mass245.00
IUPAC Name7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCS(=O)(=O)Cc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C8H8ClN3O2S/c1-15(13,14)5-7-10-8-4-6(9)2-3-12(8)11-7/h2-4H,5H2,1H3
InChIKeyILRCLODMWPCEDI-UHFFFAOYSA-N
XLogP0.93
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117257860) is 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is CS(=O)(=O)Cc1nc2cc(Cl)ccn2n1.
What is the InChIKey of 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ILRCLODMWPCEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S/c1-15(13,14)5-7-10-8-4-6(9)2-3-12(8)11-7/h2-4H,5H2,1H3.
What are the key properties of 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 245.69 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117257860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).