3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one

C12H11N3O3 — CID 142714776

IUPAC3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-2-11-10(7-12(16)14-13-11)8-4-3-5-9(6-8)15(17)18/h3-7H,2H2,1H3,(H,14,16)
InChIKeyUFEUVBIJYAYIEK-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.91
Rot. Bonds3

About 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one

3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one (PubChem CID 142714776) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one
PubChem CID142714776
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-2-11-10(7-12(16)14-13-11)8-4-3-5-9(6-8)15(17)18/h3-7H,2H2,1H3,(H,14,16)
InChIKeyUFEUVBIJYAYIEK-UHFFFAOYSA-N
XLogP1.91
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one
CID 58019968
3-(bromomethyl)-4-(3-nitrophenyl)-6-phenylpyridazine
CID 11726606
3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one
CID 10489682
ethyl 4-(3-nitrophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-3-carboxylate
CID 108805358
ethyl 5-methyl-3-(3-nitrophenyl)-1H-pyrazole-4-carboxylate
CID 101440422
4-ethyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylic acid
CID 10427877
4-chloro-6-ethyl-5-methyl-2-(3-nitrophenyl)pyrimidine
CID 63548439
dimethylazanium;4-(3-nitrophenyl)-1H-pyrazol-5-olate
CID 67458784
2-[3-(3-nitrophenyl)-6-oxo-1H-pyridazin-5-yl]acetic acid
CID 82446435
5-(aminomethyl)-3-(3-nitrophenyl)-1H-pyridazin-6-one
CID 82446437
3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 2179703
ethyl 2-(3-nitrophenyl)benzoate
CID 71742619

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one (CID 142714776) is 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one is CCc1n[nH]c(=O)cc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one?
The InChIKey is UFEUVBIJYAYIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-11-10(7-12(16)14-13-11)8-4-3-5-9(6-8)15(17)18/h3-7H,2H2,1H3,(H,14,16).
What are the key properties of 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one?
3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one has a molecular weight of 245.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 142714776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).