3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol

C11H17N3O3S — CID 117152584

IUPAC3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESO=S1(=O)CCCC(c2nnc3n2CCCC3O)C1
InChIInChI=1S/C11H17N3O3S/c15-9-4-1-5-14-10(12-13-11(9)14)8-3-2-6-18(16,17)7-8/h8-9,15H,1-7H2
InChIKeyZAYDJRMOOXYMDX-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.40
Rot. Bonds1

About 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol

3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 117152584) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID117152584
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESO=S1(=O)CCCC(c2nnc3n2CCCC3O)C1
InChIInChI=1S/C11H17N3O3S/c15-9-4-1-5-14-10(12-13-11(9)14)8-3-2-6-18(16,17)7-8/h8-9,15H,1-7H2
InChIKeyZAYDJRMOOXYMDX-UHFFFAOYSA-N
XLogP0.40
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol 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 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 117152584) is 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is O=S1(=O)CCCC(c2nnc3n2CCCC3O)C1.
What is the InChIKey of 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is ZAYDJRMOOXYMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c15-9-4-1-5-14-10(12-13-11(9)14)8-3-2-6-18(16,17)7-8/h8-9,15H,1-7H2.
What are the key properties of 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol has a molecular weight of 271.34 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 117152584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).