3-amino-5-methyl-1H-indole-2-carbohydrazide

• ChemBase ID: 120642
• Molecular Formular: C10H12N4O
• Molecular Mass: 204.22848
• Monoisotopic Mass: 204.10111102
• SMILES: c1(c(c2c([nH]1)ccc(c2)C)N)C(=O)NN
• Canonical SMILES: NNC(=O)c1[nH]c2c(c1N)cc(cc2)C
• InChI: InChI=1S/C10H12N4O/c1-5-2-3-7-6(4-5)8(11)9(13-7)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15)
• InChIKey: UARRERAXJPWNAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-methyl-1H-indole-2-carbohydrazide
• IUPAC Traditional name: 3-amino-5-methyl-1H-indole-2-carbohydrazide
• Synonyms: 3-amino-5-methyl-1H-indole-2-carbohydrazide

Database IDs

• PubChem SID: 162214995
• PubChem CID: 933858

CALCULATED PROPERTIES

• Acid pKa: 15.320591
• H Acceptors: 3
• H Donor: 4
• LogD (pH = 5.5): 0.87925017
• LogD (pH = 7.4): 0.88065106
• Log P: 0.880669
• Molar Refractivity: 60.3261 cm^3
• Polarizability: 22.696863 Å^3
• Polar Surface Area: 96.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true