5-(2-methylphenyl)pyrazin-2-amine

• ChemBase ID: 497592
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1c(c2c(C)cccc2)cnc(c1)N
• Canonical SMILES: Nc1cnc(cn1)c1ccccc1C
• InChI: InChI=1S/C11H11N3/c1-8-4-2-3-5-9(8)10-6-14-11(12)7-13-10/h2-7H,1H3,(H2,12,14)
• InChIKey: ANOAMNKHRIACAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methylphenyl)pyrazin-2-amine
• IUPAC Traditional name: 5-(2-methylphenyl)pyrazin-2-amine
• Synonyms: 5-(2-methylphenyl)-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8498046
• LogD (pH = 7.4): 1.849928
• Log P: 1.8499296
• Molar Refractivity: 56.5635 cm^3
• Polarizability: 22.438812 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.97
• LOG S: -2.24
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1