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

• ChemBase ID: 307272
• Molecular Formular: C2H4N4
• Molecular Mass: 84.07996
• Monoisotopic Mass: 84.04359615
• SMILES: n1[nH]ncc1N
• Canonical SMILES: Nc1cn[nH]n1
• InChI: InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)
• InChIKey: JSIAIROWMJGMQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 30132-90-2
• MDL Number: MFCD20502555

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.73276275
• LogD (pH = 7.4): -0.73274463
• Log P: -0.73273873
• Molar Refractivity: 23.6879 cm^3
• Polarizability: 7.454548 Å^3
• Polar Surface Area: 67.59 Å^2