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

C12H19N3OS — CID 117153526

IUPAC[2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nc(C3CCCCS3)nn2C1
InChIInChI=1S/C12H19N3OS/c16-8-9-4-5-11-13-12(14-15(11)7-9)10-3-1-2-6-17-10/h9-10,16H,1-8H2
InChIKeyWJEDZQPIRZEPGI-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.79
Rot. Bonds2

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

[2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol (PubChem CID 117153526) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
PubChem CID117153526
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nc(C3CCCCS3)nn2C1
InChIInChI=1S/C12H19N3OS/c16-8-9-4-5-11-13-12(14-15(11)7-9)10-3-1-2-6-17-10/h9-10,16H,1-8H2
InChIKeyWJEDZQPIRZEPGI-UHFFFAOYSA-N
XLogP1.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol?
The IUPAC name of [2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol (CID 117153526) is [2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol.
What is the SMILES notation for [2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol?
The canonical SMILES for [2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol is OCC1CCc2nc(C3CCCCS3)nn2C1.
What is the InChIKey of [2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol?
The InChIKey is WJEDZQPIRZEPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-8-9-4-5-11-13-12(14-15(11)7-9)10-3-1-2-6-17-10/h9-10,16H,1-8H2.
What are the key properties of [2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol?
[2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol has a molecular weight of 253.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol is sourced from PubChem (CID 117153526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).