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

C13H17N3O2 — CID 117138014

IUPAC6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(CC3CCCOC3)n2c1
InChIInChI=1S/C13H17N3O2/c1-17-11-4-5-12-14-15-13(16(12)8-11)7-10-3-2-6-18-9-10/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyJSLRUZVHXYKPSL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.71
Rot. Bonds3

About 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117138014) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117138014
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(CC3CCCOC3)n2c1
InChIInChI=1S/C13H17N3O2/c1-17-11-4-5-12-14-15-13(16(12)8-11)7-10-3-2-6-18-9-10/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyJSLRUZVHXYKPSL-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

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Related Compounds

6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137940
3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140261
6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137949
methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140093
8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145480
2-[1-[(4-methoxyphenyl)methyl]-5-(oxan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
CID 131928681
3-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
CID 105494260
6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117138066
7-methyl-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117144279
6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139205
methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140275
3-(2,5-dimethoxyphenyl)-6-[4-methyl-3-[[(3S)-oxolan-3-yl]methyl]phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 70256798

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117138014) is 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc2nnc(CC3CCCOC3)n2c1.
What is the InChIKey of 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JSLRUZVHXYKPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-4-5-12-14-15-13(16(12)8-11)7-10-3-2-6-18-9-10/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-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 6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117138014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).