2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide

C11H12ClN3O2S — CID 117129656

IUPAC2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H12ClN3O2S/c12-8-4-5-10-13-11(14-15(10)7-8)9-3-1-2-6-18(9,16)17/h4-5,7,9H,1-3,6H2
InChIKeyUFTOKVBNEHDGMI-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.02
Rot. Bonds1

About 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide

2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide (PubChem CID 117129656) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
PubChem CID117129656
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H12ClN3O2S/c12-8-4-5-10-13-11(14-15(10)7-8)9-3-1-2-6-18(9,16)17/h4-5,7,9H,1-3,6H2
InChIKeyUFTOKVBNEHDGMI-UHFFFAOYSA-N
XLogP2.02
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-[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-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The IUPAC name of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide (CID 117129656) is 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide is O=S1(=O)CCCCC1c1nc2ccc(Cl)cn2n1.
What is the InChIKey of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The InChIKey is UFTOKVBNEHDGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-8-4-5-10-13-11(14-15(10)7-8)9-3-1-2-6-18(9,16)17/h4-5,7,9H,1-3,6H2.
What are the key properties of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide has a molecular weight of 285.76 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117129656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).