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

• ChemBase ID: 306453
• Molecular Formular: C2H6N6
• Molecular Mass: 114.10924
• Monoisotopic Mass: 114.06539422
• SMILES: c1(n(cnn1)N)NN
• Canonical SMILES: NNc1nncn1N
• InChI: InChI=1S/C2H6N6/c3-6-2-7-5-1-8(2)4/h1H,3-4H2,(H,6,7)
• InChIKey: ZJJADRZINPLZGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6421-06-3
• MDL Number: MFCD02853167

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -2.0052733
• LogD (pH = 7.4): -1.9955082
• Log P: -1.9953823
• Molar Refractivity: 34.3038 cm^3
• Polarizability: 10.073412 Å^3
• Polar Surface Area: 94.78 Å^2