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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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).