3-amino-5,6-dimethoxy-1H-indole-2-carbohydrazide

• ChemBase ID: 120640
• Molecular Formular: C11H14N4O3
• Molecular Mass: 250.25386
• Monoisotopic Mass: 250.10659033
• SMILES: c1([nH]c2c(c1N)cc(c(c2)OC)OC)C(=O)NN
• Canonical SMILES: COc1cc2[nH]c(c(c2cc1OC)N)C(=O)NN
• InChI: InChI=1S/C11H14N4O3/c1-17-7-3-5-6(4-8(7)18-2)14-10(9(5)12)11(16)15-13/h3-4,14H,12-13H2,1-2H3,(H,15,16)
• InChIKey: GNGHFWNKOXCBGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5,6-dimethoxy-1H-indole-2-carbohydrazide
• IUPAC Traditional name: 3-amino-5,6-dimethoxy-1H-indole-2-carbohydrazide
• Synonyms: 3-amino-5,6-dimethoxy-1H-indole-2-carbohydrazide

Database IDs

• PubChem SID: 162214993
• PubChem CID: 937426

CALCULATED PROPERTIES

• Acid pKa: 15.337879
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 0.05047206
• LogD (pH = 7.4): 0.051886976
• Log P: 0.051905047
• Molar Refractivity: 68.2113 cm^3
• Polarizability: 25.98328 Å^3
• Polar Surface Area: 115.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true