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

• ChemBase ID: 307273
• Molecular Formular: C4H8N4
• Molecular Mass: 112.13312
• Monoisotopic Mass: 112.07489628
• SMILES: n1nn(cc1N)CC
• Canonical SMILES: CCn1cc(nn1)N
• InChI: InChI=1S/C4H8N4/c1-2-8-3-4(5)6-7-8/h3H,2,5H2,1H3
• InChIKey: QQTFIQIFWFHGEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 802915-18-0
• MDL Number: MFCD08059913

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.14256923
• LogD (pH = 7.4): 0.14256956
• Log P: 0.14256956
• Molar Refractivity: 43.0809 cm^3
• Polarizability: 11.039259 Å^3
• Polar Surface Area: 56.73 Å^2