3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C9H12N4O2S — CID 82387935

IUPAC3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCS(=O)(=O)CCc1nnc2cccc(N)n12
InChIInChI=1S/C9H12N4O2S/c1-16(14,15)6-5-9-12-11-8-4-2-3-7(10)13(8)9/h2-4H,5-6,10H2,1H3
InChIKeyFOFYSMDWFXWLJT-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.10
Rot. Bonds3

About 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 82387935) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID82387935
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCS(=O)(=O)CCc1nnc2cccc(N)n12
InChIInChI=1S/C9H12N4O2S/c1-16(14,15)6-5-9-12-11-8-4-2-3-7(10)13(8)9/h2-4H,5-6,10H2,1H3
InChIKeyFOFYSMDWFXWLJT-UHFFFAOYSA-N
XLogP-0.10
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 82387935) is 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is CS(=O)(=O)CCc1nnc2cccc(N)n12.
What is the InChIKey of 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is FOFYSMDWFXWLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-16(14,15)6-5-9-12-11-8-4-2-3-7(10)13(8)9/h2-4H,5-6,10H2,1H3.
What are the key properties of 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 240.29 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 82387935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).