(3-aminopyrazin-2-yl)methanol

• ChemBase ID: 235279
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: c1(c(nccn1)N)CO
• Canonical SMILES: OCc1nccnc1N
• InChI: InChI=1S/C5H7N3O/c6-5-4(3-9)7-1-2-8-5/h1-2,9H,3H2,(H2,6,8)
• InChIKey: SWPAJZUYMOWGDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopyrazin-2-yl)methanol
• IUPAC Traditional name: (3-aminopyrazin-2-yl)methanol
• Synonyms: (3-aminopyrazin-2-yl)methanol

Database IDs

• MDL Number: MFCD09907886
• PubChem SID: 164291189
• PubChem CID: 33728543

CALCULATED PROPERTIES

• Acid pKa: 13.890393
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3825457
• LogD (pH = 7.4): -1.3824468
• Log P: -1.3824453
• Molar Refractivity: 33.0518 cm^3
• Polarizability: 12.171467 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): -1.412

Product Information

• Purity: 95%