1-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine

• ChemBase ID: 306571
• Molecular Formular: C7H12N4O
• Molecular Mass: 168.19638
• Monoisotopic Mass: 168.10111102
• SMILES: c1(nonc1C)N1CCNCC1
• Canonical SMILES: Cc1nonc1N1CCNCC1
• InChI: InChI=1S/C7H12N4O/c1-6-7(10-12-9-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
• InChIKey: FDGKYEGTMQYQRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine
• IUPAC Traditional name: 1-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine
• Synonyms: 1-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine

Database IDs

• MDL Number: MFCD20664163

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.009088
• LogD (pH = 7.4): -1.3699932
• Log P: -0.13996571
• Molar Refractivity: 46.5176 cm^3
• Polarizability: 16.55339 Å^3
• Polar Surface Area: 54.19 Å^2