3-ethoxy-6-(piperazin-1-yl)pyridazine

• ChemBase ID: 115419
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: n1c(N2CCNCC2)ccc(n1)OCC
• Canonical SMILES: CCOc1ccc(nn1)N1CCNCC1
• InChI: InChI=1S/C10H16N4O/c1-2-15-10-4-3-9(12-13-10)14-7-5-11-6-8-14/h3-4,11H,2,5-8H2,1H3
• InChIKey: VTOQXFBDIMCWPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-6-(piperazin-1-yl)pyridazine
• IUPAC Traditional name: 3-ethoxy-6-(piperazin-1-yl)pyridazine
• Synonyms: 3-ethoxy-6-piperazin-1-ylpyridazine

Database IDs

• MDL Number: MFCD11986518
• PubChem SID: 162100285
• PubChem CID: 33677212

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.2116106
• LogD (pH = 7.4): -0.63199085
• Log P: 0.7359707
• Molar Refractivity: 60.7872 cm^3
• Polarizability: 22.218441 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.191

Product Information

• Purity: 95+%