N-methylpyrazin-2-amine

• ChemBase ID: 262142
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: n1c(NC)cncc1
• Canonical SMILES: CNc1cnccn1
• InChI: InChI=1S/C5H7N3/c1-6-5-4-7-2-3-8-5/h2-4H,1H3,(H,6,8)
• InChIKey: VGKOARVVEXZTPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpyrazin-2-amine
• IUPAC Traditional name: 2-methylaminopyrazine
• Synonyms: N-methylpyrazin-2-amine

Database IDs

• MDL Number: MFCD08456680
• PubChem SID: 164318052
• PubChem CID: 16767478

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.39503136
• LogD (pH = 7.4): -0.39486548
• Log P: -0.39486337
• Molar Refractivity: 32.2515 cm^3
• Polarizability: 11.518373 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C
• Hydrophobicity(logP): 0.499

Product Information

• Purity: 95%