3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C12H15N3O — CID 119091390

IUPAC3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN(C)c1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C12H15N3O/c1-15(2)10-5-3-9(4-6-10)11-7-8-12(16)14-13-11/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyURYQBRYWYADSQZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.37
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 119091390) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID119091390
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN(C)c1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C12H15N3O/c1-15(2)10-5-3-9(4-6-10)11-7-8-12(16)14-13-11/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyURYQBRYWYADSQZ-UHFFFAOYSA-N
XLogP1.37
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 119091390) is 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one is CN(C)c1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is URYQBRYWYADSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(2)10-5-3-9(4-6-10)11-7-8-12(16)14-13-11/h3-6H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 217.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 119091390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).