2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide

C12H19N3O2S — CID 117154081

IUPAC2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESCC1CCc2nc(C3CCCCS3(=O)=O)nn2C1
InChIInChI=1S/C12H19N3O2S/c1-9-5-6-11-13-12(14-15(11)8-9)10-4-2-3-7-18(10,16)17/h9-10H,2-8H2,1H3
InChIKeyIEZVEYDALIGMPV-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.50
Rot. Bonds1

About 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide

2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide (PubChem CID 117154081) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
PubChem CID117154081
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESCC1CCc2nc(C3CCCCS3(=O)=O)nn2C1
InChIInChI=1S/C12H19N3O2S/c1-9-5-6-11-13-12(14-15(11)8-9)10-4-2-3-7-18(10,16)17/h9-10H,2-8H2,1H3
InChIKeyIEZVEYDALIGMPV-UHFFFAOYSA-N
XLogP1.50
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The IUPAC name of 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide (CID 117154081) is 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide is CC1CCc2nc(C3CCCCS3(=O)=O)nn2C1.
What is the InChIKey of 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The InChIKey is IEZVEYDALIGMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-5-6-11-13-12(14-15(11)8-9)10-4-2-3-7-18(10,16)17/h9-10H,2-8H2,1H3.
What are the key properties of 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117154081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).