3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one

C15H18N4O — CID 59867418

IUPAC3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one
SMILESCN1CCN(c2n[nH]c(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C15H18N4O/c1-18-7-9-19(10-8-18)15-14(20)11-13(16-17-15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,20)
InChIKeyLUGSFVHOOGDVHD-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.19
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one

3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one (PubChem CID 59867418) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one
PubChem CID59867418
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one
SMILESCN1CCN(c2n[nH]c(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C15H18N4O/c1-18-7-9-19(10-8-18)15-14(20)11-13(16-17-15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,20)
InChIKeyLUGSFVHOOGDVHD-UHFFFAOYSA-N
XLogP1.19
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

5-methyl-2-phenyl-3-(piperidin-1-yl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307466
3-[[(3R)-1-methylpiperidin-3-yl]amino]-6-[2-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-4-one
CID 169990282
5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-one
CID 169990458
6-phenyl-3-piperazin-1-yl-1H-pyridazin-4-one
CID 143225985
3-[4-(4-methyl-3H-azepin-2-yl)piperazin-1-yl]-6-phenyl-1H-pyridazin-4-one
CID 147787250
1-[(2-Methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
CID 830623
1-[(2-Methylphenyl)hydrazono]-1-(1-piperidinyl)acetone
CID 5410509
(1E)-1-[(3-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
CID 5410511
(1Z)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
CID 6537852
4-Pyridazinol, 3-(dimethylamino)-6-phenyl-
CID 13163246
(1Z)-1-[(4-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
CID 40560663
1-[(4-Methylphenyl)hydrazono]-1-(1-piperidinyl)acetone
CID 43915130

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one (CID 59867418) is 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one is CN1CCN(c2n[nH]c(-c3ccccc3)cc2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one?
The InChIKey is LUGSFVHOOGDVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-7-9-19(10-8-18)15-14(20)11-13(16-17-15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,20).
What are the key properties of 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one?
3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one has a molecular weight of 270.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one is sourced from PubChem (CID 59867418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).