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

C12H19N3O2 — CID 117157947

IUPAC2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOC1CCCn2nc(CC3CCCCO3)nc21
InChIInChI=1S/C12H19N3O2/c16-10-5-3-6-15-12(10)13-11(14-15)8-9-4-1-2-7-17-9/h9-10,16H,1-8H2
InChIKeyMYTKMJILXRZWSA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds2

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

2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 117157947) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID117157947
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOC1CCCn2nc(CC3CCCCO3)nc21
InChIInChI=1S/C12H19N3O2/c16-10-5-3-6-15-12(10)13-11(14-15)8-9-4-1-2-7-17-9/h9-10,16H,1-8H2
InChIKeyMYTKMJILXRZWSA-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157219
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117157904
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
CID 117156740
2-(thian-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117157959
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117154126
2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117157732
2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117158156
8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157737
5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132162
8-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136836
2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117158060
methyl 2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129999

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 117157947) is 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is OC1CCCn2nc(CC3CCCCO3)nc21.
What is the InChIKey of 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is MYTKMJILXRZWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-10-5-3-6-15-12(10)13-11(14-15)8-9-4-1-2-7-17-9/h9-10,16H,1-8H2.
What are the key properties of 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 237.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 117157947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).