1,5-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine

• ChemBase ID: 309462
• Molecular Formular: C5H11N5
• Molecular Mass: 141.17434
• Monoisotopic Mass: 141.10144538
• SMILES: c1(nc(nn1C)N)N(C)C
• Canonical SMILES: CN(c1nc(nn1C)N)C
• InChI: InChI=1S/C5H11N5/c1-9(2)5-7-4(6)8-10(5)3/h1-3H3,(H2,6,8)
• InChIKey: YPVUBEWWGNRQAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine
• IUPAC Traditional name: 1,5-N,5-N-trimethyl-1,2,4-triazole-3,5-diamine
• Synonyms: N~5~,N~5~,1-trimethyl-1H-1,2,4-triazole-3,5-diamine

Database IDs

• CAS Number: 26668-70-2
• MDL Number: MFCD02853168

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.35550755
• LogD (pH = 7.4): 0.35672462
• Log P: 0.35674018
• Molar Refractivity: 52.6838 cm^3
• Polarizability: 14.0092 Å^3
• Polar Surface Area: 59.97 Å^2