1-(methoxymethyl)-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]cyclobutane-1-carboxamide

• ChemBase ID: 663727
• Molecular Formular: C11H18N4O2
• Molecular Mass: 238.28622
• Monoisotopic Mass: 238.14297584
• SMILES: n1nccn1CCNC(=O)C1(COC)CCC1
• Canonical SMILES: COCC1(CCC1)C(=O)NCCn1ccnn1
• InChI: InChI=1S/C11H18N4O2/c1-17-9-11(3-2-4-11)10(16)12-5-7-15-8-6-13-14-15/h6,8H,2-5,7,9H2,1H3,(H,12,16)
• InChIKey: STANYXCQFFRERR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-[2-(1,2,3-triazol-1-yl)ethyl]cyclobutane-1-carboxamide
• Synonyms: 1-(methoxymethyl)-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.190693
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.18481974
• LogD (pH = 7.4): 0.18482727
• Log P: 0.18482736
• Molar Refractivity: 73.7391 cm^3
• Polarizability: 24.059069 Å^3
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.01
• LOG S: -2.26
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 6