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

• ChemBase ID: 680986
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: c12n(c(cc(n1)C(=O)NC1CCOCC1)C(C)C)ncn2
• Canonical SMILES: CC(c1cc(nc2n1ncn2)C(=O)NC1CCOCC1)C
• InChI: InChI=1S/C14H19N5O2/c1-9(2)12-7-11(18-14-15-8-16-19(12)14)13(20)17-10-3-5-21-6-4-10/h7-10H,3-6H2,1-2H3,(H,17,20)
• InChIKey: MEYJUIHHCRJUDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxan-4-yl)-7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: 7-isopropyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: 7-isopropyl-N-(tetrahydro-2H-pyran-4-yl)[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.024765
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.7209613
• LogD (pH = 7.4): 0.7209618
• Log P: 0.7209619
• Molar Refractivity: 89.8288 cm^3
• Polarizability: 29.037554 Å^3
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.13
• LOG S: -2.51
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 3