3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C13H16N2O3 — CID 11075802

IUPAC3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2C)cc1OC
InChIInChI=1S/C13H16N2O3/c1-8-6-12(16)14-15-13(8)9-4-5-10(17-2)11(7-9)18-3/h4-5,7-8H,6H2,1-3H3,(H,14,16)
InChIKeyUPMMDJIWRGVHSR-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.56
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 11075802) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID11075802
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2C)cc1OC
InChIInChI=1S/C13H16N2O3/c1-8-6-12(16)14-15-13(8)9-4-5-10(17-2)11(7-9)18-3/h4-5,7-8H,6H2,1-3H3,(H,14,16)
InChIKeyUPMMDJIWRGVHSR-UHFFFAOYSA-N
XLogP1.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Zardaverine
CID 5723
3(2H)-Pyridazinone, 4,5-dihydro-6-(4-propoxyphenyl)-
CID 217732
2-(5-Bromo-pentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 22337167
4-(3,4-Dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 22337182
2-Cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 10068486
2-Cyclooctyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11058378
2-Cyclohexyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11089927
2-Cyclopentyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11824398
(4aS,8aR)-2-cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 24841825
6-(3,4-dimethoxybenzyl)-3-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135484238
12,13-Dimethoxy-8,8-dimethyl-3,4,7-triazatricyclo[8.4.0.0(2,6)]tetradeca-1(10),2,6,11,13-pentaen-5-one
CID 701785
cis-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 10935039

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 11075802) is 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2=NNC(=O)CC2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is UPMMDJIWRGVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-6-12(16)14-15-13(8)9-4-5-10(17-2)11(7-9)18-3/h4-5,7-8H,6H2,1-3H3,(H,14,16).
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 248.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 11075802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).