5-hydrazinyl-1H-indazole dihydrochloride

• ChemBase ID: 248031
• Molecular Formular: C7H10Cl2N4
• Molecular Mass: 221.0871
• Monoisotopic Mass: 220.0282517
• SMILES: n1[nH]c2c(c1)cc(NN)cc2.Cl.Cl
• Canonical SMILES: NNc1ccc2c(c1)cn[nH]2.Cl.Cl
• InChI: InChI=1S/C7H8N4.2ClH/c8-10-6-1-2-7-5(3-6)4-9-11-7;;/h1-4,10H,8H2,(H,9,11);2*1H
• InChIKey: SKCNXXPHPHWRPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydrazinyl-1H-indazole dihydrochloride
• IUPAC Traditional name: 5-hydrazinyl-1H-indazole dihydrochloride
• Synonyms: 5-hydrazinyl-1H-indazole dihydrochloride

Database IDs

• PubChem SID: 164303941
• PubChem CID: 71758370

CALCULATED PROPERTIES

• Acid pKa: 14.273837
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.5259178
• LogD (pH = 7.4): 0.68548435
• Log P: 0.6879503
• Molar Refractivity: 45.7798 cm^3
• Polarizability: 17.210838 Å^3
• Polar Surface Area: 66.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 1.436

Product Information

• Purity: 95%