N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 829558
• Molecular Formular: C16H21N7O2
• Molecular Mass: 343.38364
• Monoisotopic Mass: 343.17567295
• SMILES: c12n(c(cc(n1)C(=O)N(Cc1nnc(o1)CC)CC)C(C)C)ncn2
• Canonical SMILES: CCN(C(=O)c1cc(C(C)C)n2c(n1)ncn2)Cc1nnc(o1)CC
• InChI: InChI=1S/C16H21N7O2/c1-5-13-20-21-14(25-13)8-22(6-2)15(24)11-7-12(10(3)4)23-16(19-11)17-9-18-23/h7,9-10H,5-6,8H2,1-4H3
• InChIKey: DWIJPGSTSJADKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-isopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-isopropyl[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.9429391
• LogD (pH = 7.4): 0.9429397
• Log P: 0.9429397
• Molar Refractivity: 104.9314 cm^3
• Polarizability: 33.737144 Å^3
• Polar Surface Area: 102.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.04
• LOG S: -3.05
• Polar Surface Area: 102.31 Å^2
• Rotatable Bonds: 6