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

C12H15N3O2 — CID 117137949

IUPAC6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(C3CCCOC3)n2c1
InChIInChI=1S/C12H15N3O2/c1-16-10-4-5-11-13-14-12(15(11)7-10)9-3-2-6-17-8-9/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyUOHMMGUFUGBIQS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.63
Rot. Bonds2

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

6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117137949) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117137949
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(C3CCCOC3)n2c1
InChIInChI=1S/C12H15N3O2/c1-16-10-4-5-11-13-14-12(15(11)7-10)9-3-2-6-17-8-9/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyUOHMMGUFUGBIQS-UHFFFAOYSA-N
XLogP1.63
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63014932
6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138014
3-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
CID 105494260
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63014931
6-methoxy-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 105491253
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138986
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138448
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387458
6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138783
8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 82383485
8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146433
N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134803137

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117137949) is 6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc2nnc(C3CCCOC3)n2c1.
What is the InChIKey of 6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UOHMMGUFUGBIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-10-4-5-11-13-14-12(15(11)7-10)9-3-2-6-17-8-9/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 233.27 g/mol, XLogP of 1.63, 2 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-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117137949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).