5-hydrazinyl-1H-1,2,3,4-tetrazole hydrochloride

• ChemBase ID: 24711
• Molecular Formular: CH5ClN6
• Molecular Mass: 136.5436
• Monoisotopic Mass: 136.02642187
• SMILES: c1(nnn[nH]1)NN.Cl
• Canonical SMILES: NNc1nnn[nH]1.Cl
• InChI: InChI=1S/CH4N6.ClH/c2-3-1-4-6-7-5-1;/h2H2,(H2,3,4,5,6,7);1H
• InChIKey: NYYZURNITVBPJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydrazinyl-1H-1,2,3,4-tetrazole hydrochloride
• IUPAC Traditional name: 5-hydrazinyl-1H-1,2,3,4-tetrazole hydrochloride
• Synonyms: 5-Hydrazino-1H-tetrazole hydrochloride

Database IDs

• CAS Number: 40925-73-3
• MDL Number: MFCD00186442
• PubChem SID: 160988018
• PubChem CID: 46736055

CALCULATED PROPERTIES

• Acid pKa: 4.129439
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.9622723
• LogD (pH = 7.4): -2.2999463
• Log P: -1.2539884
• Molar Refractivity: 27.4986 cm^3
• Polarizability: 8.129405 Å^3
• Polar Surface Area: 92.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false