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

C10H15N3OS — CID 117148500

IUPAC3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOC1CCc2nnc(C3CCCS3)n2C1
InChIInChI=1S/C10H15N3OS/c14-7-3-4-9-11-12-10(13(9)6-7)8-2-1-5-15-8/h7-8,14H,1-6H2
InChIKeyYYRKDVDQIDDPEB-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.15
Rot. Bonds1

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

3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117148500) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117148500
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOC1CCc2nnc(C3CCCS3)n2C1
InChIInChI=1S/C10H15N3OS/c14-7-3-4-9-11-12-10(13(9)6-7)8-2-1-5-15-8/h7-8,14H,1-6H2
InChIKeyYYRKDVDQIDDPEB-UHFFFAOYSA-N
XLogP1.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148549
3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117148496
3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148328
3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148440
3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148281
3-cycloheptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532693
3-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147856
6-chloro-3-(thian-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 80595030
3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141546
3-(5-chlorothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148794
(3-cyclooctyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 105391896
(3-cycloheptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 105391938

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117148500) is 3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is OC1CCc2nnc(C3CCCS3)n2C1.
What is the InChIKey of 3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is YYRKDVDQIDDPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-7-3-4-9-11-12-10(13(9)6-7)8-2-1-5-15-8/h7-8,14H,1-6H2.
What are the key properties of 3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 225.32 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117148500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).