3-cyclopropyl-1,2,4-oxadiazol-5-amine

• ChemBase ID: 58290
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: n1c(noc1N)C1CC1
• Canonical SMILES: Nc1onc(n1)C1CC1
• InChI: InChI=1S/C5H7N3O/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H2,6,7,8)
• InChIKey: DSWVOJBJENHSDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-1,2,4-oxadiazol-5-amine
• IUPAC Traditional name: 3-cyclopropyl-1,2,4-oxadiazol-5-amine
• Synonyms: 3-Cyclopropyl-1,2,4-oxadiazol-5-amine

Database IDs

• CAS Number: 302842-68-8
• MDL Number: MFCD11847818
• PubChem SID: 162063053
• PubChem CID: 22661056

CALCULATED PROPERTIES

• Acid pKa: 11.814097
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9279342
• LogD (pH = 7.4): 0.9279227
• Log P: 0.9279388
• Molar Refractivity: 32.8714 cm^3
• Polarizability: 11.384485 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.186

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%