1H,7H-[1,2]diazolo[1,2-a]pyrazole-1,7-dione

• ChemBase ID: 126155
• Molecular Formular: C6H4N2O2
• Molecular Mass: 136.10816
• Monoisotopic Mass: 136.02727738
• SMILES: O=c1ccn2n1c(=O)cc2
• Canonical SMILES: O=c1ccn2n1c(=O)cc2
• InChI: InChI=1S/C6H4N2O2/c9-5-1-3-7-4-2-6(10)8(5)7/h1-4H
• InChIKey: DOYVLWSSQKOKHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,7H-[1,2]diazolo[1,2-a]pyrazole-1,7-dione
• IUPAC Traditional name: bimane
• Synonyms: Bimane

Database IDs

• CAS Number: 79769-56-5
• PubChem SID: 162220496
• PubChem CID: 13017386
• Chemspider ID: 26286941
• Wikipedia Title: Bimane

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5798686
• LogD (pH = 7.4): -0.5798686
• Log P: -0.57986856
• Molar Refractivity: 33.8534 cm^3
• Polarizability: 12.341281 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true