3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine

C8H9N3OS — CID 131165709

IUPAC3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCS(=O)c1nnc2ccccn12
InChIInChI=1S/C8H9N3OS/c1-2-13(12)8-10-9-7-5-3-4-6-11(7)8/h3-6H,2H2,1H3
InChIKeySQWQKXLRYZKGGY-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.86
Rot. Bonds2

About 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine

3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 131165709) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID131165709
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCS(=O)c1nnc2ccccn12
InChIInChI=1S/C8H9N3OS/c1-2-13(12)8-10-9-7-5-3-4-6-11(7)8/h3-6H,2H2,1H3
InChIKeySQWQKXLRYZKGGY-UHFFFAOYSA-N
XLogP0.86
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 115428038
3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine
CID 68903381
ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 91210925
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 83038187
(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 51880743
3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 138507184
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 103224283
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
CID 62849275
N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
CID 64632580
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine (CID 131165709) is 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine is CCS(=O)c1nnc2ccccn12.
What is the InChIKey of 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SQWQKXLRYZKGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-2-13(12)8-10-9-7-5-3-4-6-11(7)8/h3-6H,2H2,1H3.
What are the key properties of 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine?
3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 195.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 131165709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).