5-chloropyridazin-4-amine

• ChemBase ID: 238076
• Molecular Formular: C4H4ClN3
• Molecular Mass: 129.54766
• Monoisotopic Mass: 129.00937482
• SMILES: c1(c(cnnc1)Cl)N
• Canonical SMILES: Nc1cnncc1Cl
• InChI: InChI=1S/C4H4ClN3/c5-3-1-7-8-2-4(3)6/h1-2H,(H2,6,7)
• InChIKey: YUCAFBOLEPKKCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropyridazin-4-amine
• IUPAC Traditional name: 5-chloropyridazin-4-amine
• Synonyms: 5-chloropyridazin-4-amine

Database IDs

• CAS Number: 53180-92-0
• MDL Number: MFCD11110434
• PubChem SID: 164293986
• PubChem CID: 13001063

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.74830675
• LogD (pH = 7.4): -0.4544803
• Log P: -0.44907784
• Molar Refractivity: 33.2696 cm^3
• Polarizability: 11.645558 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.333

Product Information

• Purity: 95%; 95+%