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

• ChemBase ID: 571363
• Molecular Formular: C15H22N6O2
• Molecular Mass: 318.37418
• Monoisotopic Mass: 318.18042397
• SMILES: c12n(c(cc(n1)C(=O)NCCN1CCOCC1)C(C)C)ncn2
• Canonical SMILES: CC(c1cc(nc2n1ncn2)C(=O)NCCN1CCOCC1)C
• InChI: InChI=1S/C15H22N6O2/c1-11(2)13-9-12(19-15-17-10-18-21(13)15)14(22)16-3-4-20-5-7-23-8-6-20/h9-11H,3-8H2,1-2H3,(H,16,22)
• InChIKey: IEJPUIQJVUKOJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.910317
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.079789266
• LogD (pH = 7.4): 0.5490023
• Log P: 0.5599199
• Molar Refractivity: 98.4469 cm^3
• Polarizability: 32.39782 Å^3
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.07
• LOG S: -1.92
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 5