3-(azetidin-3-yloxy)-6-methoxypyridazine

C8H11N3O2 — CID 140872429

IUPAC3-(azetidin-3-yloxy)-6-methoxypyridazine
SMILESCOc1ccc(OC2CNC2)nn1
InChIInChI=1S/C8H11N3O2/c1-12-7-2-3-8(11-10-7)13-6-4-9-5-6/h2-3,6,9H,4-5H2,1H3
InChIKeyAKFHPLFRUDWRHO-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.16
Rot. Bonds3

About 3-(azetidin-3-yloxy)-6-methoxypyridazine

3-(azetidin-3-yloxy)-6-methoxypyridazine (PubChem CID 140872429) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(azetidin-3-yloxy)-6-methoxypyridazine.

Molecular Properties

Compound Name3-(azetidin-3-yloxy)-6-methoxypyridazine
PubChem CID140872429
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-(azetidin-3-yloxy)-6-methoxypyridazine
SMILESCOc1ccc(OC2CNC2)nn1
InChIInChI=1S/C8H11N3O2/c1-12-7-2-3-8(11-10-7)13-6-4-9-5-6/h2-3,6,9H,4-5H2,1H3
InChIKeyAKFHPLFRUDWRHO-UHFFFAOYSA-N
XLogP-0.16
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yloxy)-6-methoxypyridazine?
The IUPAC name of 3-(azetidin-3-yloxy)-6-methoxypyridazine (CID 140872429) is 3-(azetidin-3-yloxy)-6-methoxypyridazine.
What is the SMILES notation for 3-(azetidin-3-yloxy)-6-methoxypyridazine?
The canonical SMILES for 3-(azetidin-3-yloxy)-6-methoxypyridazine is COc1ccc(OC2CNC2)nn1.
What is the InChIKey of 3-(azetidin-3-yloxy)-6-methoxypyridazine?
The InChIKey is AKFHPLFRUDWRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-12-7-2-3-8(11-10-7)13-6-4-9-5-6/h2-3,6,9H,4-5H2,1H3.
What are the key properties of 3-(azetidin-3-yloxy)-6-methoxypyridazine?
3-(azetidin-3-yloxy)-6-methoxypyridazine has a molecular weight of 181.19 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yloxy)-6-methoxypyridazine is sourced from PubChem (CID 140872429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).