N-[1-(pyridazin-4-yl)ethylidene]hydroxylamine

• ChemBase ID: 796129
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: C(=NO)(C)c1cnncc1
• Canonical SMILES: ON=C(c1ccnnc1)C
• InChI: InChI=1S/C6H7N3O/c1-5(9-10)6-2-3-7-8-4-6/h2-4,10H,1H3
• InChIKey: VZLVCKCREOIMDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyridazin-4-yl)ethylidene]hydroxylamine
• IUPAC Traditional name: N-[1-(pyridazin-4-yl)ethylidene]hydroxylamine
• Synonyms: 1-(Pyridazin-4-yl)ethanone oxiMe

Database IDs

• CAS Number: 51149-19-0

CALCULATED PROPERTIES

• Acid pKa: 9.152447
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6572203
• LogD (pH = 7.4): -0.6646517
• Log P: -0.65706927
• Molar Refractivity: 37.9889 cm^3
• Polarizability: 13.657685 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%