(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

C15H20N4O2 — CID 97188426

IUPAC(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@@H]1CCCOC12CCN(c1nnc3ccccn13)CC2
InChIInChI=1S/C15H20N4O2/c20-12-4-3-11-21-15(12)6-9-18(10-7-15)14-17-16-13-5-1-2-8-19(13)14/h1-2,5,8,12,20H,3-4,6-7,9-11H2/t12-/m1/s1
InChIKeyMTULTHXKNRSEGR-GFCCVEGCSA-N
MW288.35 g/mol
LogP1.24
Rot. Bonds1

About (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 97188426) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID97188426
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@@H]1CCCOC12CCN(c1nnc3ccccn13)CC2
InChIInChI=1S/C15H20N4O2/c20-12-4-3-11-21-15(12)6-9-18(10-7-15)14-17-16-13-5-1-2-8-19(13)14/h1-2,5,8,12,20H,3-4,6-7,9-11H2/t12-/m1/s1
InChIKeyMTULTHXKNRSEGR-GFCCVEGCSA-N
XLogP1.24
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 97188426) is (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is O[C@@H]1CCCOC12CCN(c1nnc3ccccn13)CC2.
What is the InChIKey of (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is MTULTHXKNRSEGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-12-4-3-11-21-15(12)6-9-18(10-7-15)14-17-16-13-5-1-2-8-19(13)14/h1-2,5,8,12,20H,3-4,6-7,9-11H2/t12-/m1/s1.
What are the key properties of (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 288.35 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 97188426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).