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

C8H8F3N3O — CID 126857493

IUPAC2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1C1CNC1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-1-2-7(15)14(13-6)5-3-12-4-5/h1-2,5,12H,3-4H2
InChIKeyTVWNZVKVNDDSOR-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.41
Rot. Bonds1

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

2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 126857493) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one
PubChem CID126857493
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1C1CNC1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-1-2-7(15)14(13-6)5-3-12-4-5/h1-2,5,12H,3-4H2
InChIKeyTVWNZVKVNDDSOR-UHFFFAOYSA-N
XLogP0.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one (CID 126857493) is 2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is TVWNZVKVNDDSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)6-1-2-7(15)14(13-6)5-3-12-4-5/h1-2,5,12H,3-4H2.
What are the key properties of 2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one?
2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 219.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 126857493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).