8-(pyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 819222
• Molecular Formular: C12H16N4O
• Molecular Mass: 232.28164
• Monoisotopic Mass: 232.13241115
• SMILES: N1(c2nccnc2)CCC2(CC(=O)NC2)CC1
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)c1cnccn1
• InChI: InChI=1S/C12H16N4O/c17-11-7-12(9-15-11)1-5-16(6-2-12)10-8-13-3-4-14-10/h3-4,8H,1-2,5-7,9H2,(H,15,17)
• InChIKey: GNBSSYSGLSHHOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(pyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(pyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.993003
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5434125
• LogD (pH = 7.4): -0.54330057
• Log P: -0.543299
• Molar Refractivity: 64.1507 cm^3
• Polarizability: 24.17758 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.84
• LOG S: -1.49
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 1