3-(2-aminoethoxy)-6-(furan-2-yl)pyridazine

• ChemBase ID: 114485
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: n1nc(ccc1c1occc1)OCCN
• Canonical SMILES: NCCOc1ccc(nn1)c1ccco1
• InChI: InChI=1S/C10H11N3O2/c11-5-7-15-10-4-3-8(12-13-10)9-2-1-6-14-9/h1-4,6H,5,7,11H2
• InChIKey: STJJMGXLSJYYJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminoethoxy)-6-(furan-2-yl)pyridazine
• IUPAC Traditional name: 3-(2-aminoethoxy)-6-(furan-2-yl)pyridazine
• Synonyms: (2-{[6-(2-furyl)pyridazin-3-yl]oxy}ethyl)amine

Database IDs

• MDL Number: MFCD21091659
• PubChem SID: 162099562
• PubChem CID: 52903534

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.452371
• LogD (pH = 7.4): -1.3452204
• Log P: 0.50892824
• Molar Refractivity: 55.646 cm^3
• Polarizability: 22.259636 Å^3
• Polar Surface Area: 74.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.643

Product Information

• Purity: 95%