3-amino-6-methoxy-1H-indole-2-carbohydrazide

• ChemBase ID: 120641
• Molecular Formular: C10H12N4O2
• Molecular Mass: 220.22788
• Monoisotopic Mass: 220.09602564
• SMILES: c1([nH]c2c(c1N)ccc(c2)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1[nH]c2c(c1N)ccc(c2)OC
• InChI: InChI=1S/C10H12N4O2/c1-16-5-2-3-6-7(4-5)13-9(8(6)11)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15)
• InChIKey: JGSAJTRQPOROJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-6-methoxy-1H-indole-2-carbohydrazide
• IUPAC Traditional name: 3-amino-6-methoxy-1H-indole-2-carbohydrazide
• Synonyms: 3-amino-6-methoxy-1H-indole-2-carbohydrazide

Database IDs

• PubChem SID: 162214994
• PubChem CID: 938112

CALCULATED PROPERTIES

• Acid pKa: 15.029609
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 0.20815672
• LogD (pH = 7.4): 0.2095584
• Log P: 0.20957631
• Molar Refractivity: 61.7481 cm^3
• Polarizability: 23.451696 Å^3
• Polar Surface Area: 106.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true