5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one

C15H18N2O2 — CID 58092176

IUPAC5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one
SMILESCCOc1c(C)nn(C)c(=O)c1-c1ccccc1C
InChIInChI=1S/C15H18N2O2/c1-5-19-14-11(3)16-17(4)15(18)13(14)12-9-7-6-8-10(12)2/h6-9H,5H2,1-4H3
InChIKeyOTXBHHQIPNZBHM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds3

About 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one

5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one (PubChem CID 58092176) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one
PubChem CID58092176
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one
SMILESCCOc1c(C)nn(C)c(=O)c1-c1ccccc1C
InChIInChI=1S/C15H18N2O2/c1-5-19-14-11(3)16-17(4)15(18)13(14)12-9-7-6-8-10(12)2/h6-9H,5H2,1-4H3
InChIKeyOTXBHHQIPNZBHM-UHFFFAOYSA-N
XLogP2.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one (CID 58092176) is 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one is CCOc1c(C)nn(C)c(=O)c1-c1ccccc1C.
What is the InChIKey of 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one?
The InChIKey is OTXBHHQIPNZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-5-19-14-11(3)16-17(4)15(18)13(14)12-9-7-6-8-10(12)2/h6-9H,5H2,1-4H3.
What are the key properties of 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one?
5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one has a molecular weight of 258.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 58092176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).