6-chloro-N-cyclopropylpyridazin-3-amine

• ChemBase ID: 34087
• Molecular Formular: C7H8ClN3
• Molecular Mass: 169.61152
• Monoisotopic Mass: 169.04067495
• SMILES: c1c(nnc(c1)NC1CC1)Cl
• Canonical SMILES: Clc1ccc(nn1)NC1CC1
• InChI: InChI=1S/C7H8ClN3/c8-6-3-4-7(11-10-6)9-5-1-2-5/h3-5H,1-2H2,(H,9,11)
• InChIKey: ZBFZCCNIZKJPEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-cyclopropylpyridazin-3-amine
• IUPAC Traditional name: 6-chloro-N-cyclopropylpyridazin-3-amine
• Synonyms: 6-Chloro-N-cyclopropylpyridazin-3-amine; 6-chloro-N-cyclopropyl-3-pyridazinamine

Database IDs

• CAS Number: 941294-45-7
• MDL Number: MFCD09800959
• PubChem SID: 160997394
• PubChem CID: 25219417

CALCULATED PROPERTIES

• Acid pKa: 18.191736
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1325448
• LogD (pH = 7.4): 1.1328219
• Log P: 1.1328255
• Molar Refractivity: 47.349 cm^3
• Polarizability: 16.45452 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false