3-hydrazinyl-4H-1,2,4-triazol-4-amine hydrochloride

• ChemBase ID: 121490
• Molecular Formular: C2H7ClN6
• Molecular Mass: 150.57018
• Monoisotopic Mass: 150.04207193
• SMILES: c1(n(cnn1)N)NN.Cl
• Canonical SMILES: NNc1nncn1N.Cl
• InChI: InChI=1S/C2H6N6.ClH/c3-6-2-7-5-1-8(2)4;/h1H,3-4H2,(H,6,7);1H
• InChIKey: QSNKDYVIRQPVMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-4H-1,2,4-triazol-4-amine hydrochloride
• IUPAC Traditional name: 3-hydrazinyl-1,2,4-triazol-4-amine hydrochloride
• Synonyms: 3-hydrazinyl-4H-1,2,4-triazol-4-amine hydrochloride

Database IDs

• PubChem SID: 162215843
• PubChem CID: 51051846

CALCULATED PROPERTIES

• Acid pKa: 17.501572
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -2.0087337
• LogD (pH = 7.4): -1.9974388
• Log P: -1.9953823
• Molar Refractivity: 34.3038 cm^3
• Polarizability: 10.073412 Å^3
• Polar Surface Area: 94.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl