4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one

C16H18N2O2 — CID 82444786

IUPAC4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
SMILESCCc1ccc(-c2cc(C(C)=O)c(=O)n(CC)n2)cc1
InChIInChI=1S/C16H18N2O2/c1-4-12-6-8-13(9-7-12)15-10-14(11(3)19)16(20)18(5-2)17-15/h6-10H,4-5H2,1-3H3
InChIKeyCSZLOZXKYSQGAV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.70
Rot. Bonds4

About 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one

4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one (PubChem CID 82444786) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
PubChem CID82444786
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
SMILESCCc1ccc(-c2cc(C(C)=O)c(=O)n(CC)n2)cc1
InChIInChI=1S/C16H18N2O2/c1-4-12-6-8-13(9-7-12)15-10-14(11(3)19)16(20)18(5-2)17-15/h6-10H,4-5H2,1-3H3
InChIKeyCSZLOZXKYSQGAV-UHFFFAOYSA-N
XLogP2.70
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide
CID 82444777
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
2-ethyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbothioamide
CID 82444750
2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
CID 82444793
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82446951
2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide
CID 70545373
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
CID 82447655
1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione
CID 71818147
2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide
CID 82445305
4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
CID 82445266
3-[2-ethyl-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanoic acid
CID 82444762

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one?
The IUPAC name of 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one (CID 82444786) is 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one?
The canonical SMILES for 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one is CCc1ccc(-c2cc(C(C)=O)c(=O)n(CC)n2)cc1.
What is the InChIKey of 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one?
The InChIKey is CSZLOZXKYSQGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-12-6-8-13(9-7-12)15-10-14(11(3)19)16(20)18(5-2)17-15/h6-10H,4-5H2,1-3H3.
What are the key properties of 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one?
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one has a molecular weight of 270.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one is sourced from PubChem (CID 82444786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).