5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one

C15H18N2O2 — CID 72924912

IUPAC5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one
SMILESCCOC(C)c1ccc(-c2cc(C)n[nH]c2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-4-19-11(3)12-5-7-13(8-6-12)14-9-10(2)16-17-15(14)18/h5-9,11H,4H2,1-3H3,(H,17,18)
InChIKeyFILFAQACFATLIS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.84
Rot. Bonds4

About 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one

5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one (PubChem CID 72924912) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one
PubChem CID72924912
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one
SMILESCCOC(C)c1ccc(-c2cc(C)n[nH]c2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-4-19-11(3)12-5-7-13(8-6-12)14-9-10(2)16-17-15(14)18/h5-9,11H,4H2,1-3H3,(H,17,18)
InChIKeyFILFAQACFATLIS-UHFFFAOYSA-N
XLogP2.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one (CID 72924912) is 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one is CCOC(C)c1ccc(-c2cc(C)n[nH]c2=O)cc1.
What is the InChIKey of 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one?
The InChIKey is FILFAQACFATLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-19-11(3)12-5-7-13(8-6-12)14-9-10(2)16-17-15(14)18/h5-9,11H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one?
5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-ethoxyethyl)phenyl]-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 72924912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).