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

C12H19N3O2 — CID 117148389

IUPAC3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOC1CCc2nnc(CC3CCOCC3)n2C1
InChIInChI=1S/C12H19N3O2/c16-10-1-2-11-13-14-12(15(11)8-10)7-9-3-5-17-6-4-9/h9-10,16H,1-8H2
InChIKeyZIAGGCJKCOSPLD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.55
Rot. Bonds2

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

3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117148389) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117148389
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOC1CCc2nnc(CC3CCOCC3)n2C1
InChIInChI=1S/C12H19N3O2/c16-10-1-2-11-13-14-12(15(11)8-10)7-9-3-5-17-6-4-9/h9-10,16H,1-8H2
InChIKeyZIAGGCJKCOSPLD-UHFFFAOYSA-N
XLogP0.55
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117148389) is 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is OC1CCc2nnc(CC3CCOCC3)n2C1.
What is the InChIKey of 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is ZIAGGCJKCOSPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-10-1-2-11-13-14-12(15(11)8-10)7-9-3-5-17-6-4-9/h9-10,16H,1-8H2.
What are the key properties of 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 237.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117148389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).