3-hydrazinyl-6-methoxypyridazine

• ChemBase ID: 288711
• Molecular Formular: C5H8N4O
• Molecular Mass: 140.14322
• Monoisotopic Mass: 140.0698109
• SMILES: COc1ccc(NN)nn1
• Canonical SMILES: NNc1ccc(nn1)OC
• InChI: InChI=1S/C5H8N4O/c1-10-5-3-2-4(7-6)8-9-5/h2-3H,6H2,1H3,(H,7,8)
• InChIKey: XEUHRAAAPRMRHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-6-methoxypyridazine
• IUPAC Traditional name: 3-hydrazinyl-6-methoxypyridazine
• Synonyms: 3-Hydrazinyl-6-methoxypyridazine

Database IDs

• CAS Number: 99419-04-2
• MDL Number: MFCD08436543
• PubChem SID: 180674242
• PubChem CID: 16457148

CALCULATED PROPERTIES

• Acid pKa: 19.54974
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.14397046
• LogD (pH = 7.4): 0.19795702
• Log P: 0.19868985
• Molar Refractivity: 40.5613 cm^3
• Polarizability: 13.672819 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%