{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}(methyl)amine

• ChemBase ID: 307495
• Molecular Formular: C7H14N4O
• Molecular Mass: 170.21226
• Monoisotopic Mass: 170.11676109
• SMILES: n1(c(nnc1)CNC)CCOC
• Canonical SMILES: CNCc1nncn1CCOC
• InChI: InChI=1S/C7H14N4O/c1-8-5-7-10-9-6-11(7)3-4-12-2/h6,8H,3-5H2,1-2H3
• InChIKey: PKZKBHCOSKYRKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl}(methyl)amine
• Synonyms: 1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-N-methylmethanamine

Database IDs

• MDL Number: MFCD09055347

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4080372
• LogD (pH = 7.4): -1.7347485
• Log P: -1.2974601
• Molar Refractivity: 47.7442 cm^3
• Polarizability: 17.630207 Å^3
• Polar Surface Area: 51.97 Å^2