3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one

C14H16N2O3 — CID 106521195

IUPAC3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCOc1cccc(-c2n[nH]c(=O)c(C)c2C)c1OC
InChIInChI=1S/C14H16N2O3/c1-8-9(2)14(17)16-15-12(8)10-6-5-7-11(18-3)13(10)19-4/h5-7H,1-4H3,(H,16,17)
InChIKeyMDMXSZNRYYFFLS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.07
Rot. Bonds3

About 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one

3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one (PubChem CID 106521195) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
PubChem CID106521195
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCOc1cccc(-c2n[nH]c(=O)c(C)c2C)c1OC
InChIInChI=1S/C14H16N2O3/c1-8-9(2)14(17)16-15-12(8)10-6-5-7-11(18-3)13(10)19-4/h5-7H,1-4H3,(H,16,17)
InChIKeyMDMXSZNRYYFFLS-UHFFFAOYSA-N
XLogP2.07
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(2,3-dimethoxyphenyl)-4,5-dimethylpyridazine
CID 82793955
6-(2,3-dimethoxyphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 82793961
3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106650668
5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
CID 10403663
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10782790
4-(2-methoxy-4-methylphenyl)-7-methyl-2H-phthalazin-1-one
CID 166151476
8-bromo-4-(2-methoxy-4-methylphenyl)-2H-phthalazin-1-one
CID 166151458
3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106516910
3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine
CID 39219698
6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
CID 82794447
2-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794174
2-cyclopropyl-6-(2,3-dimethoxyphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521194

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one (CID 106521195) is 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one is COc1cccc(-c2n[nH]c(=O)c(C)c2C)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is MDMXSZNRYYFFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-9(2)14(17)16-15-12(8)10-6-5-7-11(18-3)13(10)19-4/h5-7H,1-4H3,(H,16,17).
What are the key properties of 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 260.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 106521195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).