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

• ChemBase ID: 307276
• Molecular Formular: C5H10N4
• Molecular Mass: 126.1597
• Monoisotopic Mass: 126.09054634
• SMILES: n1c(nn(c1CC)C)N
• Canonical SMILES: Cn1nc(nc1CC)N
• InChI: InChI=1S/C5H10N4/c1-3-4-7-5(6)8-9(4)2/h3H2,1-2H3,(H2,6,8)
• InChIKey: SEDFRMHLJGECEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-1-methyl-1H-1,2,4-triazol-3-amine
• IUPAC Traditional name: 5-ethyl-1-methyl-1,2,4-triazol-3-amine
• Synonyms: 5-ethyl-1-methyl-1H-1,2,4-triazol-3-amine

Database IDs

• CAS Number: 90708-10-4
• MDL Number: MFCD08059917

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3870922
• LogD (pH = 7.4): 0.38803485
• Log P: 0.3880469
• Molar Refractivity: 47.8495 cm^3
• Polarizability: 12.778289 Å^3
• Polar Surface Area: 56.73 Å^2