3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one

C15H18N2O5 — CID 3045255

IUPAC3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
SMILESCOc1cc(-n2nc(OC)c(=O)cc2C)cc(OC)c1OC
InChIInChI=1S/C15H18N2O5/c1-9-6-11(18)15(22-5)16-17(9)10-7-12(19-2)14(21-4)13(8-10)20-3/h6-8H,1-5H3
InChIKeyMUXYIRUKURTNKQ-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.58
Rot. Bonds5

About 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one

3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one (PubChem CID 3045255) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
PubChem CID3045255
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
SMILESCOc1cc(-n2nc(OC)c(=O)cc2C)cc(OC)c1OC
InChIInChI=1S/C15H18N2O5/c1-9-6-11(18)15(22-5)16-17(9)10-7-12(19-2)14(21-4)13(8-10)20-3/h6-8H,1-5H3
InChIKeyMUXYIRUKURTNKQ-UHFFFAOYSA-N
XLogP1.58
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one?
The IUPAC name of 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one (CID 3045255) is 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one.
What is the SMILES notation for 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one?
The canonical SMILES for 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one is COc1cc(-n2nc(OC)c(=O)cc2C)cc(OC)c1OC.
What is the InChIKey of 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one?
The InChIKey is MUXYIRUKURTNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9-6-11(18)15(22-5)16-17(9)10-7-12(19-2)14(21-4)13(8-10)20-3/h6-8H,1-5H3.
What are the key properties of 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one?
3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one has a molecular weight of 306.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one is sourced from PubChem (CID 3045255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).