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

• ChemBase ID: 309008
• Molecular Formular: C4H7N3O
• Molecular Mass: 113.11788
• Monoisotopic Mass: 113.05891186
• SMILES: n1c(onc1CC)N
• Canonical SMILES: CCc1noc(n1)N
• InChI: InChI=1S/C4H7N3O/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H2,5,6,7)
• InChIKey: HGPUJQWMCPURNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3663-40-9
• MDL Number: MFCD11847815

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.86170465
• LogD (pH = 7.4): 0.86169666
• Log P: 0.8617116
• Molar Refractivity: 30.0991 cm^3
• Polarizability: 10.270169 Å^3
• Polar Surface Area: 64.94 Å^2