5-{1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl}pyrazin-2-ol

• ChemBase ID: 692389
• Molecular Formular: C15H23N5O2
• Molecular Mass: 305.37542
• Monoisotopic Mass: 305.185175
• SMILES: N1(C(=O)c2ncc(nc2)O)CC2(N(CC1)C)CCN(CC2)C
• Canonical SMILES: CN1CCC2(CC1)CN(CCN2C)C(=O)c1cnc(cn1)O
• InChI: InChI=1S/C15H23N5O2/c1-18-5-3-15(4-6-18)11-20(8-7-19(15)2)14(22)12-9-17-13(21)10-16-12/h9-10H,3-8,11H2,1-2H3,(H,17,21)
• InChIKey: GLLJXKBGISJKFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl}pyrazin-2-ol
• IUPAC Traditional name: 5-{1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl}pyrazin-2-ol
• Synonyms: 5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]pyrazin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.767128
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -4.3436055
• LogD (pH = 7.4): -2.2611072
• Log P: -1.0421804
• Molar Refractivity: 83.9292 cm^3
• Polarizability: 32.022774 Å^3
• Polar Surface Area: 72.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.61
• LOG S: -2.22
• Polar Surface Area: 72.8 Å^2
• Rotatable Bonds: 1