2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)acetohydrazide

• ChemBase ID: 25037
• Molecular Formular: C3H7N7O
• Molecular Mass: 157.13398
• Monoisotopic Mass: 157.07120788
• SMILES: n1(c(nnn1)N)CC(=O)NN
• Canonical SMILES: NNC(=O)Cn1nnnc1N
• InChI: InChI=1S/C3H7N7O/c4-3-7-8-9-10(3)1-2(11)6-5/h1,5H2,(H,6,11)(H2,4,7,9)
• InChIKey: UMNZFAMPSUQUMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(5-amino-1,2,3,4-tetrazol-1-yl)acetohydrazide
• Synonyms: 2-(5-Amino-1H-tetrazol-1-yl)acetohydrazide

Database IDs

• MDL Number: MFCD00501805
• PubChem SID: 160988344
• PubChem CID: 16765167

CALCULATED PROPERTIES

• Acid pKa: 11.574702
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -2.4206815
• LogD (pH = 7.4): -2.4174685
• Log P: -2.4173992
• Molar Refractivity: 50.0992 cm^3
• Polarizability: 13.088586 Å^3
• Polar Surface Area: 124.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false