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

C8H8BrN3O2S — CID 117257397

IUPAC8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCS(=O)(=O)Cc1nnc2c(Br)cccn12
InChIInChI=1S/C8H8BrN3O2S/c1-15(13,14)5-7-10-11-8-6(9)3-2-4-12(7)8/h2-4H,5H2,1H3
InChIKeyCCCGQKNKDQZTNS-UHFFFAOYSA-N
MW290.14 g/mol
LogP1.04
Rot. Bonds2

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

8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117257397) has the molecular formula C8H8BrN3O2S and a molecular weight of 290.14 g/mol. Its IUPAC name is 8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117257397
Molecular FormulaC8H8BrN3O2S
Molecular Weight290.14 g/mol
Exact Mass288.95
IUPAC Name8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCS(=O)(=O)Cc1nnc2c(Br)cccn12
InChIInChI=1S/C8H8BrN3O2S/c1-15(13,14)5-7-10-11-8-6(9)3-2-4-12(7)8/h2-4H,5H2,1H3
InChIKeyCCCGQKNKDQZTNS-UHFFFAOYSA-N
XLogP1.04
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117257396
(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257434
8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255613
3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 51042803
2-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 117158567
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanoic acid
CID 83888641
N-(4-chlorophenyl)-N-(cyanomethyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153436
2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-1-amine
CID 83882085
8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146253
7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255433
8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
CID 15754782

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117257397) is 8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is CS(=O)(=O)Cc1nnc2c(Br)cccn12.
What is the InChIKey of 8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CCCGQKNKDQZTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2S/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-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 290.14 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117257397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).