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

C9H14N4O — CID 126857379

IUPAC2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(C2CNC2)n1
InChIInChI=1S/C9H14N4O/c1-12(2)8-3-4-9(14)13(11-8)7-5-10-6-7/h3-4,7,10H,5-6H2,1-2H3
InChIKeySVTYQPNQLRYWSN-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.55
Rot. Bonds2

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

2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one (PubChem CID 126857379) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one
PubChem CID126857379
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(C2CNC2)n1
InChIInChI=1S/C9H14N4O/c1-12(2)8-3-4-9(14)13(11-8)7-5-10-6-7/h3-4,7,10H,5-6H2,1-2H3
InChIKeySVTYQPNQLRYWSN-UHFFFAOYSA-N
XLogP-0.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one (CID 126857379) is 2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one is CN(C)c1ccc(=O)n(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one?
The InChIKey is SVTYQPNQLRYWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12(2)8-3-4-9(14)13(11-8)7-5-10-6-7/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one?
2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one has a molecular weight of 194.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-6-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 126857379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).