N-{2-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)morpholin-2-yl]ethyl}-3-(1H-1,2,3,4-tetrazol-1-yl)propanamide

• ChemBase ID: 424722
• Molecular Formular: C15H22N8O3
• Molecular Mass: 362.38698
• Monoisotopic Mass: 362.1814866
• SMILES: c1c(N2CC(OCC2)CCNC(=O)CCn2nnnc2)cnn(c1=O)C
• Canonical SMILES: O=C(CCn1cnnn1)NCCC1OCCN(C1)c1cnn(c(=O)c1)C
• InChI: InChI=1S/C15H22N8O3/c1-21-15(25)8-12(9-18-21)22-6-7-26-13(10-22)2-4-16-14(24)3-5-23-11-17-19-20-23/h8-9,11,13H,2-7,10H2,1H3,(H,16,24)
• InChIKey: AAHOKLSOOZLUQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)morpholin-2-yl]ethyl}-3-(1H-1,2,3,4-tetrazol-1-yl)propanamide
• IUPAC Traditional name: N-{2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl}-3-(1,2,3,4-tetrazol-1-yl)propanamide
• Synonyms: N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-3-(1H-tetrazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.145241
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -2.183532
• LogD (pH = 7.4): -2.183531
• Log P: -2.183531
• Molar Refractivity: 107.2304 cm^3
• Polarizability: 34.619568 Å^3
• Polar Surface Area: 117.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -1.56
• LOG S: -1.82
• Polar Surface Area: 120.06 Å^2
• Rotatable Bonds: 7