1-ethyl-3-(4-methylphenyl)pyridazin-4-one

C13H14N2O — CID 20563943

IUPAC1-ethyl-3-(4-methylphenyl)pyridazin-4-one
SMILESCCn1ccc(=O)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H14N2O/c1-3-15-9-8-12(16)13(14-15)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyZUQRFTVFXJXGLF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.24
Rot. Bonds2

About 1-ethyl-3-(4-methylphenyl)pyridazin-4-one

1-ethyl-3-(4-methylphenyl)pyridazin-4-one (PubChem CID 20563943) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name1-ethyl-3-(4-methylphenyl)pyridazin-4-one
PubChem CID20563943
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-ethyl-3-(4-methylphenyl)pyridazin-4-one
SMILESCCn1ccc(=O)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H14N2O/c1-3-15-9-8-12(16)13(14-15)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyZUQRFTVFXJXGLF-UHFFFAOYSA-N
XLogP2.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methylphenyl)pyridazin-4-one?
The IUPAC name of 1-ethyl-3-(4-methylphenyl)pyridazin-4-one (CID 20563943) is 1-ethyl-3-(4-methylphenyl)pyridazin-4-one.
What is the SMILES notation for 1-ethyl-3-(4-methylphenyl)pyridazin-4-one?
The canonical SMILES for 1-ethyl-3-(4-methylphenyl)pyridazin-4-one is CCn1ccc(=O)c(-c2ccc(C)cc2)n1.
What is the InChIKey of 1-ethyl-3-(4-methylphenyl)pyridazin-4-one?
The InChIKey is ZUQRFTVFXJXGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-15-9-8-12(16)13(14-15)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-methylphenyl)pyridazin-4-one?
1-ethyl-3-(4-methylphenyl)pyridazin-4-one has a molecular weight of 214.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylphenyl)pyridazin-4-one is sourced from PubChem (CID 20563943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).