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

C12H14N2O3 — CID 15521373

IUPAC4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2C=NNC(=O)C2)cc1OC
InChIInChI=1S/C12H14N2O3/c1-16-10-4-3-8(5-11(10)17-2)9-6-12(15)14-13-7-9/h3-5,7,9H,6H2,1-2H3,(H,14,15)
InChIKeyKIGOIVUUBDXUOS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.29
Rot. Bonds3

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

4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 15521373) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID15521373
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2C=NNC(=O)C2)cc1OC
InChIInChI=1S/C12H14N2O3/c1-16-10-4-3-8(5-11(10)17-2)9-6-12(15)14-13-7-9/h3-5,7,9H,6H2,1-2H3,(H,14,15)
InChIKeyKIGOIVUUBDXUOS-UHFFFAOYSA-N
XLogP1.29
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
5-(3,4-dimethoxyphenyl)pyrazolidin-3-one
CID 22046088
(1S,3aS,4S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 10364225
(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
CID 97015434
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
(7S)-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137129590
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 3162351
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione
CID 79310062
methyl (6S)-6-(3,4-dimethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 748022

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 15521373) is 4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2C=NNC(=O)C2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is KIGOIVUUBDXUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-10-4-3-8(5-11(10)17-2)9-6-12(15)14-13-7-9/h3-5,7,9H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 234.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 15521373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).