3-aminopyrazin-2-ol

• ChemBase ID: 66686
• Molecular Formular: C4H5N3O
• Molecular Mass: 111.102
• Monoisotopic Mass: 111.0432618
• SMILES: c1(c(nccn1)O)N
• Canonical SMILES: Nc1nccnc1O
• InChI: InChI=1S/C4H5N3O/c5-3-4(8)7-2-1-6-3/h1-2H,(H2,5,6)(H,7,8)
• InChIKey: KQLHRXQKORXSTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyrazin-2-ol
• IUPAC Traditional name: 3-aminopyrazin-2-ol
• Synonyms: 2-Amino-3-hydroxypyrazine

Database IDs

• CAS Number: 43029-19-2
• PubChem SID: 162032423
• PubChem CID: 319470

CALCULATED PROPERTIES

• Acid pKa: 11.534696
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.40601817
• LogD (pH = 7.4): -0.40571105
• Log P: -0.40567526
• Molar Refractivity: 29.0525 cm^3
• Polarizability: 10.344083 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%