3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one

C14H16N2O — CID 106516910

IUPAC3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCc1ccc(-c2n[nH]c(=O)c(C)c2C)c(C)c1
InChIInChI=1S/C14H16N2O/c1-8-5-6-12(9(2)7-8)13-10(3)11(4)14(17)16-15-13/h5-7H,1-4H3,(H,16,17)
InChIKeyWNTDYTKJIRYHIS-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.67
Rot. Bonds1

About 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one

3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one (PubChem CID 106516910) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one
PubChem CID106516910
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCc1ccc(-c2n[nH]c(=O)c(C)c2C)c(C)c1
InChIInChI=1S/C14H16N2O/c1-8-5-6-12(9(2)7-8)13-10(3)11(4)14(17)16-15-13/h5-7H,1-4H3,(H,16,17)
InChIKeyWNTDYTKJIRYHIS-UHFFFAOYSA-N
XLogP2.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dimethylphenyl)-4,5-dimethyl-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

Related Compounds

3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82113593
4-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbaldehyde
CID 83911949
3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
CID 112558964
5-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82297653
3-(2,4-dimethylphenyl)-5-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1H-pyridazin-6-one
CID 82445563
4-(2-methoxy-4-methylphenyl)-7-methyl-2H-phthalazin-1-one
CID 166151476
3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106650668
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686114
3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
CID 106518049
3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106521195
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686116

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one (CID 106516910) is 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one is Cc1ccc(-c2n[nH]c(=O)c(C)c2C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is WNTDYTKJIRYHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8-5-6-12(9(2)7-8)13-10(3)11(4)14(17)16-15-13/h5-7H,1-4H3,(H,16,17).
What are the key properties of 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 228.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 106516910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).