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

C12H19N3O2 — CID 117156740

IUPAC2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
SMILESOC1CCn2nc(CC3CCCCO3)nc2C1
InChIInChI=1S/C12H19N3O2/c16-9-4-5-15-12(7-9)13-11(14-15)8-10-3-1-2-6-17-10/h9-10,16H,1-8H2
InChIKeyHCEFBHGSLOMRSN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.70
Rot. Bonds2

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

2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (PubChem CID 117156740) 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-7-ol.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
PubChem CID117156740
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-7-ol
SMILESOC1CCn2nc(CC3CCCCO3)nc2C1
InChIInChI=1S/C12H19N3O2/c16-9-4-5-15-12(7-9)13-11(14-15)8-10-3-1-2-6-17-10/h9-10,16H,1-8H2
InChIKeyHCEFBHGSLOMRSN-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
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-7-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]pyridin-8-ol
CID 117157947
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117154126
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157219
2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
CID 117156389
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117157904
8-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136836
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
5-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132162
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155468
7-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156529
methyl 2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129999
2-(oxan-2-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117136833

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-7-ol?
The IUPAC name of 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (CID 117156740) is 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The canonical SMILES for 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol is OC1CCn2nc(CC3CCCCO3)nc2C1.
What is the InChIKey of 2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The InChIKey is HCEFBHGSLOMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-9-4-5-15-12(7-9)13-11(14-15)8-10-3-1-2-6-17-10/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-7-ol?
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol has a molecular weight of 237.30 g/mol, XLogP of 0.70, 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-7-ol is sourced from PubChem (CID 117156740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).