2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 820955
• Molecular Formular: C12H18N4
• Molecular Mass: 218.29812
• Monoisotopic Mass: 218.1531466
• SMILES: N1(c2nccnc2)CC2(CC1)CNCCC2
• Canonical SMILES: C1CCC2(CN1)CCN(C2)c1cnccn1
• InChI: InChI=1S/C12H18N4/c1-2-12(9-14-4-1)3-7-16(10-12)11-8-13-5-6-15-11/h5-6,8,14H,1-4,7,9-10H2
• InChIKey: DJOUNCXXLAEDRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.817235
• LogD (pH = 7.4): -2.1656902
• Log P: 0.4051367
• Molar Refractivity: 63.9732 cm^3
• Polarizability: 24.474615 Å^3
• Polar Surface Area: 41.05 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: -0.5
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1