(5-aminopyrazin-2-yl)methanol

• ChemBase ID: 237896
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: n1c(cnc(c1)CO)N
• Canonical SMILES: Nc1cnc(cn1)CO
• InChI: InChI=1S/C5H7N3O/c6-5-2-7-4(3-9)1-8-5/h1-2,9H,3H2,(H2,6,8)
• InChIKey: XUCIOTXCIYFFOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-aminopyrazin-2-yl)methanol
• IUPAC Traditional name: (5-aminopyrazin-2-yl)methanol
• Synonyms: (5-aminopyrazin-2-yl)methanol

Database IDs

• MDL Number: MFCD19205769
• PubChem SID: 164293806
• PubChem CID: 23461948

CALCULATED PROPERTIES

• Acid pKa: 14.085453
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3825301
• LogD (pH = 7.4): -1.3824465
• Log P: -1.3824453
• Molar Refractivity: 33.0518 cm^3
• Polarizability: 12.171225 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.362

Product Information

• Purity: 95%