2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide

C12H15N3O3S — CID 117145442

IUPAC2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESCOc1cccn2c(C3CCCCS3(=O)=O)nnc12
InChIInChI=1S/C12H15N3O3S/c1-18-9-5-4-7-15-11(9)13-14-12(15)10-6-2-3-8-19(10,16)17/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyAGSNPAIUKGZPBO-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.38
Rot. Bonds2

About 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide

2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide (PubChem CID 117145442) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
PubChem CID117145442
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESCOc1cccn2c(C3CCCCS3(=O)=O)nnc12
InChIInChI=1S/C12H15N3O3S/c1-18-9-5-4-7-15-11(9)13-14-12(15)10-6-2-3-8-19(10,16)17/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyAGSNPAIUKGZPBO-UHFFFAOYSA-N
XLogP1.38
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide (CID 117145442) is 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide is COc1cccn2c(C3CCCCS3(=O)=O)nnc12.
What is the InChIKey of 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide?
The InChIKey is AGSNPAIUKGZPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-18-9-5-4-7-15-11(9)13-14-12(15)10-6-2-3-8-19(10,16)17/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide?
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide has a molecular weight of 281.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117145442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).