4-hydrazinyl-7-nitro-1H-indazol-3-amine

• ChemBase ID: 81099
• Molecular Formular: C7H8N6O2
• Molecular Mass: 208.17742
• Monoisotopic Mass: 208.07087353
• SMILES: [N+](=O)(c1c2c(c(cc1)NN)c(n[nH]2)N)[O-]
• Canonical SMILES: NNc1ccc(c2c1c(N)n[nH]2)[N+](=O)[O-]
• InChI: InChI=1S/C7H8N6O2/c8-7-5-3(10-9)1-2-4(13(14)15)6(5)11-12-7/h1-2,10H,9H2,(H3,8,11,12)
• InChIKey: GEGOYVYMYUGKLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-7-nitro-1H-indazol-3-amine
• IUPAC Traditional name: 4-hydrazinyl-7-nitro-1H-indazol-3-amine
• Synonyms: 4-hydrazino-7-nitro-1H-indazol-3-amine

Database IDs

• MDL Number: MFCD01935154
• PubChem SID: 162068218
• PubChem CID: 3718312

CALCULATED PROPERTIES

• Acid pKa: 14.757098
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): 0.21609865
• LogD (pH = 7.4): 0.3904192
• Log P: 0.39346606
• Molar Refractivity: 58.1184 cm^3
• Polarizability: 20.246832 Å^3
• Polar Surface Area: 138.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true