8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

C13H17N3O2 — CID 117145480

IUPAC8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(CC3CCCOC3)nnc12
InChIInChI=1S/C13H17N3O2/c1-17-11-5-2-6-16-12(14-15-13(11)16)8-10-4-3-7-18-9-10/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyUINJLGOTKAYSIK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.71
Rot. Bonds3

About 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117145480) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117145480
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(CC3CCCOC3)nnc12
InChIInChI=1S/C13H17N3O2/c1-17-11-5-2-6-16-12(14-15-13(11)16)8-10-4-3-7-18-9-10/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyUINJLGOTKAYSIK-UHFFFAOYSA-N
XLogP1.71
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147425
8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145458
6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138014
3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140261
8-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117145486
7-methyl-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117144279
8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 82383485
8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915
8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756
8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117136142
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117145429

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117145480) is 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccn2c(CC3CCCOC3)nnc12.
What is the InChIKey of 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UINJLGOTKAYSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-5-2-6-16-12(14-15-13(11)16)8-10-4-3-7-18-9-10/h2,5-6,10H,3-4,7-9H2,1H3.
What are the key properties of 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 247.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117145480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).