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

C14H16N2O5 — CID 3045256

IUPAC3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
SMILESCOc1cc(-n2ccc(=O)c(OC)n2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-18-11-7-9(8-12(19-2)13(11)20-3)16-6-5-10(17)14(15-16)21-4/h5-8H,1-4H3
InChIKeyLEANHXNOJQBTEI-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.27
Rot. Bonds5

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

3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one (PubChem CID 3045256) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
PubChem CID3045256
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
SMILESCOc1cc(-n2ccc(=O)c(OC)n2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-18-11-7-9(8-12(19-2)13(11)20-3)16-6-5-10(17)14(15-16)21-4/h5-8H,1-4H3
InChIKeyLEANHXNOJQBTEI-UHFFFAOYSA-N
XLogP1.27
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine
CID 84617710
ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate
CID 125039041
2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 43394694
1-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 82392973
4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
3-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 66489916
N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693958
5,6-dichloro-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione
CID 53231891
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377502
5,6-dimethoxy-2-methylpyridazin-3-one
CID 10607232
4-(trifluoromethyl)-11-(3,4,5-trimethoxyphenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 43864375
1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375238

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one?
The IUPAC name of 3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one (CID 3045256) is 3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one.
What is the SMILES notation for 3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one?
The canonical SMILES for 3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one is COc1cc(-n2ccc(=O)c(OC)n2)cc(OC)c1OC.
What is the InChIKey of 3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one?
The InChIKey is LEANHXNOJQBTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-18-11-7-9(8-12(19-2)13(11)20-3)16-6-5-10(17)14(15-16)21-4/h5-8H,1-4H3.
What are the key properties of 3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one?
3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one has a molecular weight of 292.29 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one is sourced from PubChem (CID 3045256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).