3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide

C12H15N3O3S — CID 117131596

IUPAC3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESCOc1cccc2nc(C3CCCS(=O)(=O)C3)nn12
InChIInChI=1S/C12H15N3O3S/c1-18-11-6-2-5-10-13-12(14-15(10)11)9-4-3-7-19(16,17)8-9/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyAZOKAYNASKFMSF-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.03
Rot. Bonds2

About 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide

3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide (PubChem CID 117131596) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
PubChem CID117131596
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESCOc1cccc2nc(C3CCCS(=O)(=O)C3)nn12
InChIInChI=1S/C12H15N3O3S/c1-18-11-6-2-5-10-13-12(14-15(10)11)9-4-3-7-19(16,17)8-9/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyAZOKAYNASKFMSF-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131081
2-(1,1-dioxothian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117131700
3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131136
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131133
4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117131468
2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132118
2-(1-ethylpiperidin-2-yl)-5-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117131864
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133515
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 83866249
2-cyclopentyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 83866250
2-(1,1-dioxothian-3-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131698
5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine
CID 117131597

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide (CID 117131596) is 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide is COc1cccc2nc(C3CCCS(=O)(=O)C3)nn12.
What is the InChIKey of 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The InChIKey is AZOKAYNASKFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-18-11-6-2-5-10-13-12(14-15(10)11)9-4-3-7-19(16,17)8-9/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide has a molecular weight of 281.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117131596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).