6-bromo-N-methylpyridazin-3-amine

• ChemBase ID: 308969
• Molecular Formular: C5H6BrN3
• Molecular Mass: 188.02524
• Monoisotopic Mass: 186.97450921
• SMILES: n1nc(Br)ccc1NC
• Canonical SMILES: CNc1ccc(nn1)Br
• InChI: InChI=1S/C5H6BrN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
• InChIKey: WXAUZVBERHOGOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-methylpyridazin-3-amine
• IUPAC Traditional name: 6-bromo-N-methylpyridazin-3-amine
• Synonyms: 6-bromo-N-methyl-3-pyridazinamine

Database IDs

• CAS Number: 1208657-07-1
• MDL Number: MFCD13188585

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.81690013
• LogD (pH = 7.4): 0.81730855
• Log P: 0.81731373
• Molar Refractivity: 42.7367 cm^3
• Polarizability: 14.532799 Å^3
• Polar Surface Area: 37.81 Å^2