3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

C11H12N2O — CID 689110

IUPAC3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)10-6-7-11(14)13-12-10/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyJPAYUPFRSQJUOX-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.61
Rot. Bonds1

About 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 689110) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID689110
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)10-6-7-11(14)13-12-10/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyJPAYUPFRSQJUOX-UHFFFAOYSA-N
XLogP1.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 2725675
6-(4-Methylphenyl)pyridazin-3-ol
CID 687205
3-Phenyl-5-pyrazolone
CID 78577
6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one
CID 689108
5,5-Dimethyl-2,6-dihydropyrazolo[4,3-d][3]benzazepin-3-one
CID 614841
3-methyl-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 2727495
4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-[(1E)-1-(3,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 5334232

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 689110) is 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is Cc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JPAYUPFRSQJUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)10-6-7-11(14)13-12-10/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 188.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 689110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).