5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one

C13H12N2O2 — CID 82445462

IUPAC5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
SMILESCC(=O)c1cc(-c2ccc(C)cc2)n[nH]c1=O
InChIInChI=1S/C13H12N2O2/c1-8-3-5-10(6-4-8)12-7-11(9(2)16)13(17)15-14-12/h3-7H,1-2H3,(H,15,17)
InChIKeyCOXAYMNBADDDBZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.95
Rot. Bonds2

About 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one

5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one (PubChem CID 82445462) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
PubChem CID82445462
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
SMILESCC(=O)c1cc(-c2ccc(C)cc2)n[nH]c1=O
InChIInChI=1S/C13H12N2O2/c1-8-3-5-10(6-4-8)12-7-11(9(2)16)13(17)15-14-12/h3-7H,1-2H3,(H,15,17)
InChIKeyCOXAYMNBADDDBZ-UHFFFAOYSA-N
XLogP1.95
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 82445707
3-(4-methylphenyl)-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one
CID 82445447
5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445428
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
CID 82446124
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide
CID 131863810
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
CID 91392997
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 136660992
3-naphthalen-2-yl-6-oxo-1H-pyridazine-5-carboxamide
CID 131863808

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one (CID 82445462) is 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one is CC(=O)c1cc(-c2ccc(C)cc2)n[nH]c1=O.
What is the InChIKey of 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one?
The InChIKey is COXAYMNBADDDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8-3-5-10(6-4-8)12-7-11(9(2)16)13(17)15-14-12/h3-7H,1-2H3,(H,15,17).
What are the key properties of 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one?
5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one has a molecular weight of 228.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).