6-(4-ethoxyphenyl)-2-methylpyridazin-3-one

C13H14N2O2 — CID 7660164

IUPAC6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
SMILESCCOc1ccc(-c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C13H14N2O2/c1-3-17-11-6-4-10(5-7-11)12-8-9-13(16)15(2)14-12/h4-9H,3H2,1-2H3
InChIKeyJAULBODZHDUMPA-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.85
Rot. Bonds3

About 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one

6-(4-ethoxyphenyl)-2-methylpyridazin-3-one (PubChem CID 7660164) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
PubChem CID7660164
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
SMILESCCOc1ccc(-c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C13H14N2O2/c1-3-17-11-6-4-10(5-7-11)12-8-9-13(16)15(2)14-12/h4-9H,3H2,1-2H3
InChIKeyJAULBODZHDUMPA-UHFFFAOYSA-N
XLogP1.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one (CID 7660164) is 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one is CCOc1ccc(-c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is JAULBODZHDUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-17-11-6-4-10(5-7-11)12-8-9-13(16)15(2)14-12/h4-9H,3H2,1-2H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one?
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 7660164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).