6-(morpholin-4-yl)pyridazin-3-amine

• ChemBase ID: 22519
• Molecular Formular: C8H12N4O
• Molecular Mass: 180.20708
• Monoisotopic Mass: 180.10111102
• SMILES: c1(ccc(nn1)N1CCOCC1)N
• Canonical SMILES: Nc1ccc(nn1)N1CCOCC1
• InChI: InChI=1S/C8H12N4O/c9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2,(H2,9,10)
• InChIKey: IEUHTZVAUDMKQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridazin-3-amine
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridazin-3-amine
• Synonyms: 3-Amino-6-morpholin-4-ylpyridazine; 3-Amino-6-(morpholin-4-yl)pyridazine

Database IDs

• CAS Number: 66346-91-6
• MDL Number: MFCD09743734
• PubChem SID: 160985826
• PubChem CID: 13114295

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.112875625
• LogD (pH = 7.4): 0.023291435
• Log P: 0.02533595
• Molar Refractivity: 52.5949 cm^3
• Polarizability: 18.185167 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false