1H-indazole-3,5-diamine

• ChemBase ID: 243419
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: c12c(n[nH]c1ccc(c2)N)N
• Canonical SMILES: Nc1ccc2c(c1)c(N)n[nH]2
• InChI: InChI=1S/C7H8N4/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,8H2,(H3,9,10,11)
• InChIKey: GHFKCBWRZWDFKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazole-3,5-diamine
• IUPAC Traditional name: 1H-indazole-3,5-diamine
• Synonyms: 1H-indazole-3,5-diamine

Database IDs

• MDL Number: MFCD13813188
• PubChem SID: 164299329
• PubChem CID: 17723727

CALCULATED PROPERTIES

• Acid pKa: 16.032692
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.22590269
• LogD (pH = 7.4): 0.2328244
• Log P: 0.23291332
• Molar Refractivity: 45.7874 cm^3
• Polarizability: 16.910818 Å^3
• Polar Surface Area: 80.72 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): 0.212

Product Information

• Purity: 95%