methyl[(5-methylpyrazin-2-yl)methyl]amine

• ChemBase ID: 246756
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(cnc(c1)C)CNC
• Canonical SMILES: CNCc1cnc(cn1)C
• InChI: InChI=1S/C7H11N3/c1-6-3-10-7(4-8-2)5-9-6/h3,5,8H,4H2,1-2H3
• InChIKey: VQIHQBNDRQZLLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methylpyrazin-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-methylpyrazin-2-yl)methyl]amine
• Synonyms: methyl[(5-methylpyrazin-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD11105976
• PubChem SID: 164302666
• PubChem CID: 20607226

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2207177
• LogD (pH = 7.4): -1.4871815
• Log P: -0.69090813
• Molar Refractivity: 39.0615 cm^3
• Polarizability: 15.504958 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.445

Product Information

• Purity: 95%