4-ethyl-1,3,5-triazin-2-amine

• ChemBase ID: 246489
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: n1c(ncnc1CC)N
• Canonical SMILES: CCc1nc(N)ncn1
• InChI: InChI=1S/C5H8N4/c1-2-4-7-3-8-5(6)9-4/h3H,2H2,1H3,(H2,6,7,8,9)
• InChIKey: IUBANARRFVKYIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4-ethyl-1,3,5-triazin-2-amine
• Synonyms: 4-ethyl-1,3,5-triazin-2-amine

Database IDs

• MDL Number: MFCD18903230
• PubChem SID: 164302399
• PubChem CID: 35089

CALCULATED PROPERTIES

• Acid pKa: 15.784168
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7490788
• LogD (pH = 7.4): 0.7637942
• Log P: 0.7639851
• Molar Refractivity: 36.4193 cm^3
• Polarizability: 12.421353 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.129

Product Information

• Purity: 95%