5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine

• ChemBase ID: 271310
• Molecular Formular: C7H10N4
• Molecular Mass: 150.1811
• Monoisotopic Mass: 150.09054634
• SMILES: n1nc(cc2c1CCNC2)N
• Canonical SMILES: Nc1cc2CNCCc2nn1
• InChI: InChI=1S/C7H10N4/c8-7-3-5-4-9-2-1-6(5)10-11-7/h3,9H,1-2,4H2,(H2,8,11)
• InChIKey: JWYWQCXWKCHFIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine
• IUPAC Traditional name: 5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine
• Synonyms: 5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine

Database IDs

• MDL Number: MFCD22369996
• PubChem SID: 164327220
• PubChem CID: 54594615

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.703647
• LogD (pH = 7.4): -2.0666087
• Log P: -0.83060426
• Molar Refractivity: 44.7581 cm^3
• Polarizability: 15.927145 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): -1.006

Product Information

• Purity: 95%