pyridazine-3,6-diamine

• ChemBase ID: 287558
• Molecular Formular: C4H6N4
• Molecular Mass: 110.11724
• Monoisotopic Mass: 110.05924621
• SMILES: Nc1ccc(N)nn1
• Canonical SMILES: Nc1ccc(nn1)N
• InChI: InChI=1S/C4H6N4/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,5,7)(H2,6,8)
• InChIKey: DGGSOPZZJKIXQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazine-3,6-diamine
• IUPAC Traditional name: pyridazine-3,6-diamine
• Synonyms: 3,6-Diaminopyridazine; Pyridazine-3,6-diaMine

Database IDs

• CAS Number: 61070-99-3
• PubChem SID: 180673089
• PubChem CID: 6409841

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8801109
• LogD (pH = 7.4): -0.6960667
• Log P: -0.6931334
• Molar Refractivity: 33.7922 cm^3
• Polarizability: 10.848339 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%