dimethyl[(1-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1H-1,2,3-triazol-4-yl)methyl]amine

• ChemBase ID: 470777
• Molecular Formular: C18H24N8O
• Molecular Mass: 368.43616
• Monoisotopic Mass: 368.20730743
• SMILES: n1n(cc(n1)CN(C)C)C1CCN(c2cc(c3nc(no3)C)ccn2)CC1
• Canonical SMILES: CN(Cc1nnn(c1)C1CCN(CC1)c1nccc(c1)c1onc(n1)C)C
• InChI: InChI=1S/C18H24N8O/c1-13-20-18(27-22-13)14-4-7-19-17(10-14)25-8-5-16(6-9-25)26-12-15(21-23-26)11-24(2)3/h4,7,10,12,16H,5-6,8-9,11H2,1-3H3
• InChIKey: PIGSWQVBEUFICC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(1-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1H-1,2,3-triazol-4-yl)methyl]amine
• IUPAC Traditional name: dimethyl[(1-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1,2,3-triazol-4-yl)methyl]amine
• Synonyms: N,N-dimethyl-1-(1-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1H-1,2,3-triazol-4-yl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.3161274
• LogD (pH = 7.4): 1.5974609
• Log P: 1.7104739
• Molar Refractivity: 125.7872 cm^3
• Polarizability: 38.71471 Å^3
• Polar Surface Area: 89.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.4
• LOG S: -1.22
• Polar Surface Area: 89.0 Å^2
• Rotatable Bonds: 5