methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate

C15H16N2O3 — CID 63953612

IUPACmethyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(C)cc2C)cc(C)c1=O
InChIInChI=1S/C15H16N2O3/c1-9-5-6-12(10(2)7-9)17-8-11(3)14(18)13(16-17)15(19)20-4/h5-8H,1-4H3
InChIKeyCKIMKTFJOVAZRY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.94
Rot. Bonds2

About methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate

methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate (PubChem CID 63953612) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
PubChem CID63953612
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(C)cc2C)cc(C)c1=O
InChIInChI=1S/C15H16N2O3/c1-9-5-6-12(10(2)7-9)17-8-11(3)14(18)13(16-17)15(19)20-4/h5-8H,1-4H3
InChIKeyCKIMKTFJOVAZRY-UHFFFAOYSA-N
XLogP1.94
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-chloro-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 63952442
methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 81289323
methyl 1-(3-bromo-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 107627497
methyl 1-(4-bromo-3-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 107617183
methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 63953235
methyl 1-(4-bromo-2-chlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
CID 63951428
N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide
CID 58072390
1-(4-bromo-2-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63953833
1-(4-fluoro-2-iodophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 79771802
1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82294247
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 30847810
methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
CID 63951630

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate (CID 63953612) is methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate is COC(=O)c1nn(-c2ccc(C)cc2C)cc(C)c1=O.
What is the InChIKey of methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
The InChIKey is CKIMKTFJOVAZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-5-6-12(10(2)7-9)17-8-11(3)14(18)13(16-17)15(19)20-4/h5-8H,1-4H3.
What are the key properties of methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 63953612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).