6-[3-(pyrazin-2-yl)-1H-pyrazol-1-yl]pyridin-2-amine

• ChemBase ID: 753226
• Molecular Formular: C12H10N6
• Molecular Mass: 238.248
• Monoisotopic Mass: 238.09669435
• SMILES: n1n(c2nc(N)ccc2)ccc1c1nccnc1
• Canonical SMILES: Nc1cccc(n1)n1ccc(n1)c1cnccn1
• InChI: InChI=1S/C12H10N6/c13-11-2-1-3-12(16-11)18-7-4-9(17-18)10-8-14-5-6-15-10/h1-8H,(H2,13,16)
• InChIKey: VRIUAJXYRQKPTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(pyrazin-2-yl)-1H-pyrazol-1-yl]pyridin-2-amine
• IUPAC Traditional name: 6-[3-(pyrazin-2-yl)pyrazol-1-yl]pyridin-2-amine
• Synonyms: 6-(3-pyrazin-2-yl-1H-pyrazol-1-yl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1769011
• LogD (pH = 7.4): 1.1848598
• Log P: 1.1849622
• Molar Refractivity: 67.6686 cm^3
• Polarizability: 26.149302 Å^3
• Polar Surface Area: 82.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.1
• LOG S: -1.88
• Polar Surface Area: 82.51 Å^2
• Rotatable Bonds: 2