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

• ChemBase ID: 693884
• Molecular Formular: C15H17N5O2
• Molecular Mass: 299.32778
• Monoisotopic Mass: 299.13822481
• SMILES: c12n(c(cc(n1)C(=O)NCc1oc(cc1)C)C(C)C)ncn2
• Canonical SMILES: Cc1ccc(o1)CNC(=O)c1cc(C(C)C)n2c(n1)ncn2
• InChI: InChI=1S/C15H17N5O2/c1-9(2)13-6-12(19-15-17-8-18-20(13)15)14(21)16-7-11-5-4-10(3)22-11/h4-6,8-9H,7H2,1-3H3,(H,16,21)
• InChIKey: IHKCUGBJBQTNJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.7145815
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7440563
• LogD (pH = 7.4): 1.7440567
• Log P: 1.7440569
• Molar Refractivity: 93.5065 cm^3
• Polarizability: 29.924387 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.42
• LOG S: -2.6
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 4