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

C13H17N3O3S — CID 117132118

IUPAC2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
SMILESCOc1cccc2nc(CC3CCCCS3(=O)=O)nn12
InChIInChI=1S/C13H17N3O3S/c1-19-13-7-4-6-12-14-11(15-16(12)13)9-10-5-2-3-8-20(10,17)18/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyYMXJHFURCVRAAX-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.25
Rot. Bonds3

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

2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (PubChem CID 117132118) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
PubChem CID117132118
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
SMILESCOc1cccc2nc(CC3CCCCS3(=O)=O)nn12
InChIInChI=1S/C13H17N3O3S/c1-19-13-7-4-6-12-14-11(15-16(12)13)9-10-5-2-3-8-20(10,17)18/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyYMXJHFURCVRAAX-UHFFFAOYSA-N
XLogP1.25
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide with MolForge

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Related Compounds

4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117131468
5-methoxy-2-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132123
3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117131596
3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131081
2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132170
2-[(1,1-dioxothian-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136895
2-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129768
2-(1-ethylpiperidin-2-yl)-5-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117131864
5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132162
2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117136792
2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117156744
2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117154191

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The IUPAC name of 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (CID 117132118) is 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The canonical SMILES for 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is COc1cccc2nc(CC3CCCCS3(=O)=O)nn12.
What is the InChIKey of 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The InChIKey is YMXJHFURCVRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-19-13-7-4-6-12-14-11(15-16(12)13)9-10-5-2-3-8-20(10,17)18/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide has a molecular weight of 295.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is sourced from PubChem (CID 117132118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).