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

C11H17N3OS — CID 117148549

IUPAC3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOC1CCc2nnc(C3CCCCS3)n2C1
InChIInChI=1S/C11H17N3OS/c15-8-4-5-10-12-13-11(14(10)7-8)9-3-1-2-6-16-9/h8-9,15H,1-7H2
InChIKeySMLWKWSXVZNHCF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.54
Rot. Bonds1

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

3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117148549) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117148549
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOC1CCc2nnc(C3CCCCS3)n2C1
InChIInChI=1S/C11H17N3OS/c15-8-4-5-10-12-13-11(14(10)7-8)9-3-1-2-6-16-9/h8-9,15H,1-7H2
InChIKeySMLWKWSXVZNHCF-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148500
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
6-chloro-3-(thian-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 80595030
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
7-chloro-3-(thian-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 80595145
(3-cycloheptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 105391938
(3-cyclooctyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 105391896
3-(thian-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117148653
3-(5-chlorothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148794

Frequently Asked Questions

What is the IUPAC name of 3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117148549) is 3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is OC1CCc2nnc(C3CCCCS3)n2C1.
What is the InChIKey of 3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is SMLWKWSXVZNHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-8-4-5-10-12-13-11(14(10)7-8)9-3-1-2-6-16-9/h8-9,15H,1-7H2.
What are the key properties of 3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 239.34 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117148549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).