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

• ChemBase ID: 306906
• Molecular Formular: C4H8N4
• Molecular Mass: 112.13312
• Monoisotopic Mass: 112.07489628
• SMILES: n1n(ncc1N)CC
• Canonical SMILES: CCn1ncc(n1)N
• InChI: InChI=1S/C4H8N4/c1-2-8-6-3-4(5)7-8/h3H,2H2,1H3,(H2,5,7)
• InChIKey: VFHNHXVFSOEFFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09055264

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.15227002
• LogD (pH = 7.4): -0.15225491
• Log P: -0.15225472
• Molar Refractivity: 43.6525 cm^3
• Polarizability: 11.017022 Å^3
• Polar Surface Area: 56.73 Å^2