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

C8H8ClN3O2S — CID 117257396

IUPAC8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCS(=O)(=O)Cc1nnc2c(Cl)cccn12
InChIInChI=1S/C8H8ClN3O2S/c1-15(13,14)5-7-10-11-8-6(9)3-2-4-12(7)8/h2-4H,5H2,1H3
InChIKeyKAZQOAPWQFONRF-UHFFFAOYSA-N
MW245.69 g/mol
LogP0.93
Rot. Bonds2

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

8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117257396) has the molecular formula C8H8ClN3O2S and a molecular weight of 245.69 g/mol. Its IUPAC name is 8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117257396
Molecular FormulaC8H8ClN3O2S
Molecular Weight245.69 g/mol
Exact Mass245.00
IUPAC Name8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCS(=O)(=O)Cc1nnc2c(Cl)cccn12
InChIInChI=1S/C8H8ClN3O2S/c1-15(13,14)5-7-10-11-8-6(9)3-2-4-12(7)8/h2-4H,5H2,1H3
InChIKeyKAZQOAPWQFONRF-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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Related Compounds

8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117257397
N-[(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 126827681
8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117147341
8-chloro-3-(thian-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146698
8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146916
3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 15754777
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146365
8-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbohydrazide
CID 141408708
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756
(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257434
N-(4-chlorophenyl)-N-(cyanomethyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153436

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117257396) is 8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is CS(=O)(=O)Cc1nnc2c(Cl)cccn12.
What is the InChIKey of 8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KAZQOAPWQFONRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S/c1-15(13,14)5-7-10-11-8-6(9)3-2-4-12(7)8/h2-4H,5H2,1H3.
What are the key properties of 8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-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 8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117257396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).