2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one

C9H10F3N3O — CID 171991200

IUPAC2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CC1CNC1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-1-2-8(16)15(14-7)5-6-3-13-4-6/h1-2,6,13H,3-5H2
InChIKeyXSRUIGIKNIYYNU-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.48
Rot. Bonds2

About 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one

2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 171991200) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
PubChem CID171991200
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CC1CNC1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-1-2-8(16)15(14-7)5-6-3-13-4-6/h1-2,6,13H,3-5H2
InChIKeyXSRUIGIKNIYYNU-UHFFFAOYSA-N
XLogP0.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one (CID 171991200) is 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1CC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is XSRUIGIKNIYYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)7-1-2-8(16)15(14-7)5-6-3-13-4-6/h1-2,6,13H,3-5H2.
What are the key properties of 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 233.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 171991200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).