N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine

• ChemBase ID: 550891
• Molecular Formular: C15H29N5
• Molecular Mass: 279.42426
• Monoisotopic Mass: 279.24229595
• SMILES: c1(ncnn1CC)C(NC1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: CCn1ncnc1C(NC1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C15H29N5/c1-7-20-13(16-10-17-20)11(2)18-12-8-14(3,4)19-15(5,6)9-12/h10-12,18-19H,7-9H2,1-6H3
• InChIKey: SIZAMTUQPJFCIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine
• IUPAC Traditional name: N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine
• Synonyms: N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -1.96
• Polar Surface Area: 54.77 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 2
• Log P: 2.03

JChem

• Molar Refractivity: 94.2234 cm^3
• Polarizability: 32.4375 Å^3
• Polar Surface Area: 54.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8555996
• LogD (pH = 7.4): -1.6444174
• Log P: 1.3097353