3-amino-4-methoxy-1H-indole-2-carbohydrazide

• ChemBase ID: 120638
• Molecular Formular: C10H12N4O2
• Molecular Mass: 220.22788
• Monoisotopic Mass: 220.09602564
• SMILES: c1(c(c2c([nH]1)cccc2OC)N)C(=O)NN
• Canonical SMILES: NNC(=O)c1[nH]c2c(c1N)c(OC)ccc2
• InChI: InChI=1S/C10H12N4O2/c1-16-6-4-2-3-5-7(6)8(11)9(13-5)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15)
• InChIKey: KKEAIGKIYWJFSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-methoxy-1H-indole-2-carbohydrazide
• IUPAC Traditional name: 3-amino-4-methoxy-1H-indole-2-carbohydrazide
• Synonyms: 3-amino-4-methoxy-1H-indole-2-carbohydrazide

Database IDs

• PubChem SID: 162214991
• PubChem CID: 931776

CALCULATED PROPERTIES

• Acid pKa: 15.368129
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 0.20807257
• LogD (pH = 7.4): 0.20955734
• Log P: 0.20957631
• Molar Refractivity: 61.7481 cm^3
• Polarizability: 23.456047 Å^3
• Polar Surface Area: 106.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true