5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one

C13H15N3O2 — CID 102371058

IUPAC5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one
SMILESCOc1cnn(C)c(=O)c1Nc1ccc(C)cc1
InChIInChI=1S/C13H15N3O2/c1-9-4-6-10(7-5-9)15-12-11(18-3)8-14-16(2)13(12)17/h4-8,15H,1-3H3
InChIKeyGETMUXALXBZIOP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.84
Rot. Bonds3

About 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one

5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one (PubChem CID 102371058) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one
PubChem CID102371058
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one
SMILESCOc1cnn(C)c(=O)c1Nc1ccc(C)cc1
InChIInChI=1S/C13H15N3O2/c1-9-4-6-10(7-5-9)15-12-11(18-3)8-14-16(2)13(12)17/h4-8,15H,1-3H3
InChIKeyGETMUXALXBZIOP-UHFFFAOYSA-N
XLogP1.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide
CID 42832669
N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide
CID 46001003
4-[[5-(2,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46148858
3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46114849
4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one
CID 42832694
5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 42832695
N-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide
CID 46001005
4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 46148880
1-(2-methoxy-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047026
1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine
CID 627434
3-(3,4-dimethoxyanilino)-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
CID 22550232
N-benzyl-4-[[5-(4-chloro-3-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide
CID 42833640

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one?
The IUPAC name of 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one (CID 102371058) is 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one?
The canonical SMILES for 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one is COc1cnn(C)c(=O)c1Nc1ccc(C)cc1.
What is the InChIKey of 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one?
The InChIKey is GETMUXALXBZIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-6-10(7-5-9)15-12-11(18-3)8-14-16(2)13(12)17/h4-8,15H,1-3H3.
What are the key properties of 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one?
5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one has a molecular weight of 245.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one is sourced from PubChem (CID 102371058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).