N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 585260
• Molecular Formular: C14H19N7O3
• Molecular Mass: 333.34576
• Monoisotopic Mass: 333.1549375
• SMILES: n1(c(=O)cc(cn1)N1CCOCC1)CC(=O)Nc1nn(nc1)CC
• Canonical SMILES: CCn1ncc(n1)NC(=O)Cn1ncc(cc1=O)N1CCOCC1
• InChI: InChI=1S/C14H19N7O3/c1-2-21-16-9-12(18-21)17-13(22)10-20-14(23)7-11(8-15-20)19-3-5-24-6-4-19/h7-9H,2-6,10H2,1H3,(H,17,18,22)
• InChIKey: ZFXGZPWSMURMEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-(2-ethyl-1,2,3-triazol-4-yl)-2-[4-(morpholin-4-yl)-6-oxopyridazin-1-yl]acetamide
• Synonyms: N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-[4-(4-morpholinyl)-6-oxo-1(6H)-pyridazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.761788
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.0004659
• LogD (pH = 7.4): -1.0006447
• Log P: -1.0004634
• Molar Refractivity: 100.8823 cm^3
• Polarizability: 31.691261 Å^3
• Polar Surface Area: 104.95 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: -1.68
• LOG S: -1.51
• Polar Surface Area: 107.17 Å^2
• Rotatable Bonds: 5