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

C11H17N3OS — CID 117156585

IUPAC2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
SMILESOC1CCn2nc(C3CCCSC3)nc2C1
InChIInChI=1S/C11H17N3OS/c15-9-3-4-14-10(6-9)12-11(13-14)8-2-1-5-16-7-8/h8-9,15H,1-7H2
InChIKeyVQFBIKZQUFYBBA-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.20
Rot. Bonds1

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

2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (PubChem CID 117156585) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
PubChem CID117156585
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
SMILESOC1CCn2nc(C3CCCSC3)nc2C1
InChIInChI=1S/C11H17N3OS/c15-9-3-4-14-10(6-9)12-11(13-14)8-2-1-5-16-7-8/h8-9,15H,1-7H2
InChIKeyVQFBIKZQUFYBBA-UHFFFAOYSA-N
XLogP1.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-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 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The IUPAC name of 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (CID 117156585) is 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The canonical SMILES for 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol is OC1CCn2nc(C3CCCSC3)nc2C1.
What is the InChIKey of 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The InChIKey is VQFBIKZQUFYBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-9-3-4-14-10(6-9)12-11(13-14)8-2-1-5-16-7-8/h8-9,15H,1-7H2.
What are the key properties of 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol has a molecular weight of 239.34 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117156585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).