4-{imidazo[1,2-a]pyrazin-2-yl}-1,2,5-oxadiazol-3-amine

• ChemBase ID: 287566
• Molecular Formular: C8H6N6O
• Molecular Mass: 202.17284
• Monoisotopic Mass: 202.06030884
• SMILES: n1c2n(cc1c1nonc1N)ccnc2
• Canonical SMILES: Nc1nonc1c1cn2c(n1)cncc2
• InChI: InChI=1S/C8H6N6O/c9-8-7(12-15-13-8)5-4-14-2-1-10-3-6(14)11-5/h1-4H,(H2,9,13)
• InChIKey: YZWLTQHMDOCNGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{imidazo[1,2-a]pyrazin-2-yl}-1,2,5-oxadiazol-3-amine
• IUPAC Traditional name: 4-{imidazo[1,2-a]pyrazin-2-yl}-1,2,5-oxadiazol-3-amine
• Synonyms: 4-(Imidazo[1,2-a]pyrazin-2-yl)-1,2,5-oxadiazol-3-amine

Database IDs

• CAS Number: 1031927-02-2
• PubChem SID: 180673097
• PubChem CID: 26370469

CALCULATED PROPERTIES

• Acid pKa: 13.699026
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6849227
• LogD (pH = 7.4): -0.6848216
• Log P: -0.6848201
• Molar Refractivity: 53.5562 cm^3
• Polarizability: 19.656021 Å^3
• Polar Surface Area: 95.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%