3-methyl-1-(4-methylphenyl)pyridazin-4-one

C12H12N2O — CID 66489916

IUPAC3-methyl-1-(4-methylphenyl)pyridazin-4-one
SMILESCc1ccc(-n2ccc(=O)c(C)n2)cc1
InChIInChI=1S/C12H12N2O/c1-9-3-5-11(6-4-9)14-8-7-12(15)10(2)13-14/h3-8H,1-2H3
InChIKeyFMKQBELNLSRGGS-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.85
Rot. Bonds1

About 3-methyl-1-(4-methylphenyl)pyridazin-4-one

3-methyl-1-(4-methylphenyl)pyridazin-4-one (PubChem CID 66489916) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)pyridazin-4-one
PubChem CID66489916
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-methyl-1-(4-methylphenyl)pyridazin-4-one
SMILESCc1ccc(-n2ccc(=O)c(C)n2)cc1
InChIInChI=1S/C12H12N2O/c1-9-3-5-11(6-4-9)14-8-7-12(15)10(2)13-14/h3-8H,1-2H3
InChIKeyFMKQBELNLSRGGS-UHFFFAOYSA-N
XLogP1.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methyl-1-(4-methylphenyl)pyrazole
CID 123320873
1,3-bis(4-methylphenyl)pyrazole
CID 163429464
1-(4-methylphenyl)pyrazole-3-carbaldehyde
CID 13432477
3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one
CID 123935990
3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one
CID 75527688
1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7709813
3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 46873186
1-(4-methylphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyridazin-4-one
CID 1484996
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
methyl 1-(4-methylphenyl)pyrazole-3-carboxylate
CID 14129279
2-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 175085264
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)pyridazin-4-one?
The IUPAC name of 3-methyl-1-(4-methylphenyl)pyridazin-4-one (CID 66489916) is 3-methyl-1-(4-methylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)pyridazin-4-one?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)pyridazin-4-one is Cc1ccc(-n2ccc(=O)c(C)n2)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)pyridazin-4-one?
The InChIKey is FMKQBELNLSRGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-3-5-11(6-4-9)14-8-7-12(15)10(2)13-14/h3-8H,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)pyridazin-4-one?
3-methyl-1-(4-methylphenyl)pyridazin-4-one has a molecular weight of 200.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)pyridazin-4-one is sourced from PubChem (CID 66489916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).