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

C11H17N3OS — CID 117147980

IUPAC[3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(C3CCSC3)n2C1
InChIInChI=1S/C11H17N3OS/c15-6-8-1-2-10-12-13-11(14(10)5-8)9-3-4-16-7-9/h8-9,15H,1-7H2
InChIKeyLXBVPKGYOOOEBA-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.05
Rot. Bonds2

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

[3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (PubChem CID 117147980) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
PubChem CID117147980
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(C3CCSC3)n2C1
InChIInChI=1S/C11H17N3OS/c15-6-8-1-2-10-12-13-11(14(10)5-8)9-3-4-16-7-9/h8-9,15H,1-7H2
InChIKeyLXBVPKGYOOOEBA-UHFFFAOYSA-N
XLogP1.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The IUPAC name of [3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (CID 117147980) is [3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is OCC1CCc2nnc(C3CCSC3)n2C1.
What is the InChIKey of [3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The InChIKey is LXBVPKGYOOOEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-6-8-1-2-10-12-13-11(14(10)5-8)9-3-4-16-7-9/h8-9,15H,1-7H2.
What are the key properties of [3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
[3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol has a molecular weight of 239.34 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is sourced from PubChem (CID 117147980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).