(5-cyclopropylpyrazin-2-yl)methanamine

• ChemBase ID: 801779
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: NCc1cnc(cn1)C1CC1
• Canonical SMILES: NCc1ncc(nc1)C1CC1
• InChI: InChI=1S/C8H11N3/c9-3-7-4-11-8(5-10-7)6-1-2-6/h4-6H,1-3,9H2
• InChIKey: LBFLTCCEWVTTJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-cyclopropylpyrazin-2-yl)methanamine
• IUPAC Traditional name: (5-cyclopropylpyrazin-2-yl)methanamine
• Synonyms: (5-CYCLOPROPYLPYRAZIN-2-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9364183
• LogD (pH = 7.4): -1.2808398
• Log P: -0.34369233
• Molar Refractivity: 41.6861 cm^3
• Polarizability: 16.616 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%