(3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane

C11H15N3O — CID 141162884

IUPAC(3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane
SMILESc1cnnc(O[C@H]2CN3CCC2CC3)c1
InChIInChI=1S/C11H15N3O/c1-2-11(13-12-5-1)15-10-8-14-6-3-9(10)4-7-14/h1-2,5,9-10H,3-4,6-8H2/t10-/m0/s1
InChIKeyCATZUSSHXPDJBF-JTQLQIEISA-N
MW205.26 g/mol
LogP0.95
Rot. Bonds2

About (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane

(3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane (PubChem CID 141162884) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane
PubChem CID141162884
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane
SMILESc1cnnc(O[C@H]2CN3CCC2CC3)c1
InChIInChI=1S/C11H15N3O/c1-2-11(13-12-5-1)15-10-8-14-6-3-9(10)4-7-14/h1-2,5,9-10H,3-4,6-8H2/t10-/m0/s1
InChIKeyCATZUSSHXPDJBF-JTQLQIEISA-N
XLogP0.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane (CID 141162884) is (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane is c1cnnc(O[C@H]2CN3CCC2CC3)c1.
What is the InChIKey of (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane?
The InChIKey is CATZUSSHXPDJBF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-11(13-12-5-1)15-10-8-14-6-3-9(10)4-7-14/h1-2,5,9-10H,3-4,6-8H2/t10-/m0/s1.
What are the key properties of (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane?
(3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane has a molecular weight of 205.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyridazin-3-yloxy-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 141162884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).