4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one

C14H16N4O3 — CID 82444570

IUPAC4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one
SMILESCCNCc1cc(-c2cccc([N+](=O)[O-])c2)nn(C)c1=O
InChIInChI=1S/C14H16N4O3/c1-3-15-9-11-8-13(16-17(2)14(11)19)10-5-4-6-12(7-10)18(20)21/h4-8,15H,3,9H2,1-2H3
InChIKeyGUXDHVMJSDNPNG-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.47
Rot. Bonds5

About 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one

4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one (PubChem CID 82444570) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one
PubChem CID82444570
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one
SMILESCCNCc1cc(-c2cccc([N+](=O)[O-])c2)nn(C)c1=O
InChIInChI=1S/C14H16N4O3/c1-3-15-9-11-8-13(16-17(2)14(11)19)10-5-4-6-12(7-10)18(20)21/h4-8,15H,3,9H2,1-2H3
InChIKeyGUXDHVMJSDNPNG-UHFFFAOYSA-N
XLogP1.47
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-cyclopropyl-1-methyl-3-(3-nitrophenyl)pyrazole
CID 154683142
N-[[3-methyl-1-(3-nitrophenyl)pyrazol-4-yl]methyl]ethanamine
CID 84615276
2-ethyl-6-(3-nitrophenyl)-3-oxopyridazine-4-carbonyl chloride
CID 82445285
2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82443803
2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 7665774
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
2-[3-(3-nitrophenyl)-6-oxo-1H-pyridazin-5-yl]acetic acid
CID 82446435
ethyl 3-methoxy-1-methyl-5-(3-nitrophenyl)pyrazole-4-carboxylate
CID 11335734
N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665621
2-bromo-4-(3-nitrophenyl)-1,3-thiazole;ethanol
CID 176652782
N-ethyl-2-(3-nitrophenyl)pyridin-4-amine
CID 102824677
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82443800

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one?
The IUPAC name of 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one (CID 82444570) is 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one.
What is the SMILES notation for 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one?
The canonical SMILES for 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one is CCNCc1cc(-c2cccc([N+](=O)[O-])c2)nn(C)c1=O.
What is the InChIKey of 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one?
The InChIKey is GUXDHVMJSDNPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-15-9-11-8-13(16-17(2)14(11)19)10-5-4-6-12(7-10)18(20)21/h4-8,15H,3,9H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one?
4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one has a molecular weight of 288.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one is sourced from PubChem (CID 82444570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).