N-(2-aminoethyl)-6-methylpyridazin-3-amine

• ChemBase ID: 25211
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: n1nc(ccc1NCCN)C
• Canonical SMILES: Cc1ccc(nn1)NCCN
• InChI: InChI=1S/C7H12N4/c1-6-2-3-7(11-10-6)9-5-4-8/h2-3H,4-5,8H2,1H3,(H,9,11)
• InChIKey: LPLWTVKVCSZUJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-6-methylpyridazin-3-amine
• IUPAC Traditional name: N-(2-aminoethyl)-6-methylpyridazin-3-amine
• Synonyms: N-(2-Aminoethyl)-N-(6-methylpyridazin-3-yl)amine

Database IDs

• MDL Number: MFCD09971905
• PubChem SID: 160988518
• PubChem CID: 22118733

CALCULATED PROPERTIES

• Acid pKa: 19.134089
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.8268538
• LogD (pH = 7.4): -2.9786472
• Log P: -0.82257456
• Molar Refractivity: 46.813 cm^3
• Polarizability: 16.656082 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false