3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one

C13H14N2O2 — CID 3073156

IUPAC3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one
SMILESCOc1nn(-c2cccc(C)c2)c(C)cc1=O
InChIInChI=1S/C13H14N2O2/c1-9-5-4-6-11(7-9)15-10(2)8-12(16)13(14-15)17-3/h4-8H,1-3H3
InChIKeyWZIZDVRQFINPRS-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.86
Rot. Bonds2

About 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one

3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one (PubChem CID 3073156) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one
PubChem CID3073156
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one
SMILESCOc1nn(-c2cccc(C)c2)c(C)cc1=O
InChIInChI=1S/C13H14N2O2/c1-9-5-4-6-11(7-9)15-10(2)8-12(16)13(14-15)17-3/h4-8H,1-3H3
InChIKeyWZIZDVRQFINPRS-UHFFFAOYSA-N
XLogP1.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one?
The IUPAC name of 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one (CID 3073156) is 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one?
The canonical SMILES for 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one is COc1nn(-c2cccc(C)c2)c(C)cc1=O.
What is the InChIKey of 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one?
The InChIKey is WZIZDVRQFINPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-4-6-11(7-9)15-10(2)8-12(16)13(14-15)17-3/h4-8H,1-3H3.
What are the key properties of 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one?
3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one is sourced from PubChem (CID 3073156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).