3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane

C13H19N3O — CID 122269116

IUPAC3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)N2Cc1cccnn1
InChIInChI=1S/C13H19N3O/c1-17-13-7-11-4-5-12(8-13)16(11)9-10-3-2-6-14-15-10/h2-3,6,11-13H,4-5,7-9H2,1H3
InChIKeyFLPQVAHCQXDSSC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.62
Rot. Bonds3

About 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane

3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 122269116) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID122269116
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)N2Cc1cccnn1
InChIInChI=1S/C13H19N3O/c1-17-13-7-11-4-5-12(8-13)16(11)9-10-3-2-6-14-15-10/h2-3,6,11-13H,4-5,7-9H2,1H3
InChIKeyFLPQVAHCQXDSSC-UHFFFAOYSA-N
XLogP1.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane (CID 122269116) is 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane is COC1CC2CCC(C1)N2Cc1cccnn1.
What is the InChIKey of 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is FLPQVAHCQXDSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-13-7-11-4-5-12(8-13)16(11)9-10-3-2-6-14-15-10/h2-3,6,11-13H,4-5,7-9H2,1H3.
What are the key properties of 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane?
3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 233.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 122269116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).