6-(2,6-dimethylmorpholin-4-yl)pyridazin-3-amine

• ChemBase ID: 22537
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: c1(ccc(nn1)N1CC(OC(C1)C)C)N
• Canonical SMILES: CC1OC(C)CN(C1)c1ccc(nn1)N
• InChI: InChI=1S/C10H16N4O/c1-7-5-14(6-8(2)15-7)10-4-3-9(11)12-13-10/h3-4,7-8H,5-6H2,1-2H3,(H2,11,12)
• InChIKey: BFTNCHQTLUQFEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,6-dimethylmorpholin-4-yl)pyridazin-3-amine
• IUPAC Traditional name: 6-(2,6-dimethylmorpholin-4-yl)pyridazin-3-amine
• Synonyms: 3-Amino-6-(2,6-dimethylmorpholin-4-yl)pyridazine

Database IDs

• CAS Number: 756423-54-8
• MDL Number: MFCD09800747
• PubChem SID: 160985844
• PubChem CID: 20316790

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.72130954
• LogD (pH = 7.4): 0.8564593
• Log P: 0.858486
• Molar Refractivity: 61.4325 cm^3
• Polarizability: 21.851135 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false