8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one

C12H15N3O — CID 106897819

IUPAC8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2Cc1cccnn1
InChIInChI=1S/C12H15N3O/c16-12-6-10-3-4-11(7-12)15(10)8-9-2-1-5-13-14-9/h1-2,5,10-11H,3-4,6-8H2
InChIKeyWIJRZUVZUCLWAE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.17
Rot. Bonds2

About 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one

8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 106897819) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID106897819
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2Cc1cccnn1
InChIInChI=1S/C12H15N3O/c16-12-6-10-3-4-11(7-12)15(10)8-9-2-1-5-13-14-9/h1-2,5,10-11H,3-4,6-8H2
InChIKeyWIJRZUVZUCLWAE-UHFFFAOYSA-N
XLogP1.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 106897819) is 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2Cc1cccnn1.
What is the InChIKey of 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is WIJRZUVZUCLWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-6-10-3-4-11(7-12)15(10)8-9-2-1-5-13-14-9/h1-2,5,10-11H,3-4,6-8H2.
What are the key properties of 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 106897819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).