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

C11H17N3O2 — CID 117152496

IUPAC3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESOC1CCCn2c(CC3CCOC3)nnc21
InChIInChI=1S/C11H17N3O2/c15-9-2-1-4-14-10(12-13-11(9)14)6-8-3-5-16-7-8/h8-9,15H,1-7H2
InChIKeyAPHPJLSHBNJHQO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.68
Rot. Bonds2

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

3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 117152496) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID117152496
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESOC1CCCn2c(CC3CCOC3)nnc21
InChIInChI=1S/C11H17N3O2/c15-9-2-1-4-14-10(12-13-11(9)14)6-8-3-5-16-7-8/h8-9,15H,1-7H2
InChIKeyAPHPJLSHBNJHQO-UHFFFAOYSA-N
XLogP0.68
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of 3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 117152496) is 3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for 3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for 3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is OC1CCCn2c(CC3CCOC3)nnc21.
What is the InChIKey of 3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is APHPJLSHBNJHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-9-2-1-4-14-10(12-13-11(9)14)6-8-3-5-16-7-8/h8-9,15H,1-7H2.
What are the key properties of 3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol has a molecular weight of 223.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 117152496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).