3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

C12H14N2O2 — CID 10489002

IUPAC3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-8-7-9(16-2)3-4-10(8)11-5-6-12(15)14-13-11/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyNXGOSSOTCJGSJB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.62
Rot. Bonds2

About 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 10489002) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID10489002
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-8-7-9(16-2)3-4-10(8)11-5-6-12(15)14-13-11/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyNXGOSSOTCJGSJB-UHFFFAOYSA-N
XLogP1.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137462795
3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463145
3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 154614507
3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
CID 605366
7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
CID 15599421
3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 154614489
3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135833413
4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one
CID 83261958
4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 136955604
3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 59376546
3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463241
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 10489002) is 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2=NNC(=O)CC2)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is NXGOSSOTCJGSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-7-9(16-2)3-4-10(8)11-5-6-12(15)14-13-11/h3-4,7H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 218.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 10489002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).