3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane

C19H23N3O2 — CID 68715544

IUPAC3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane
SMILESCOc1cccc(-c2ccc(OC3C4CCN(CC4)C3C)nn2)c1
InChIInChI=1S/C19H23N3O2/c1-13-19(14-8-10-22(13)11-9-14)24-18-7-6-17(20-21-18)15-4-3-5-16(12-15)23-2/h3-7,12-14,19H,8-11H2,1-2H3
InChIKeyAQHZWMBOQTWZBW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.01
Rot. Bonds4

About 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane

3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane (PubChem CID 68715544) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane
PubChem CID68715544
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane
SMILESCOc1cccc(-c2ccc(OC3C4CCN(CC4)C3C)nn2)c1
InChIInChI=1S/C19H23N3O2/c1-13-19(14-8-10-22(13)11-9-14)24-18-7-6-17(20-21-18)15-4-3-5-16(12-15)23-2/h3-7,12-14,19H,8-11H2,1-2H3
InChIKeyAQHZWMBOQTWZBW-UHFFFAOYSA-N
XLogP3.01
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane (CID 68715544) is 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane is COc1cccc(-c2ccc(OC3C4CCN(CC4)C3C)nn2)c1.
What is the InChIKey of 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane?
The InChIKey is AQHZWMBOQTWZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-19(14-8-10-22(13)11-9-14)24-18-7-6-17(20-21-18)15-4-3-5-16(12-15)23-2/h3-7,12-14,19H,8-11H2,1-2H3.
What are the key properties of 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane?
3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane has a molecular weight of 325.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 68715544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).