2-amino-1-[4-(pyrazin-2-yl)piperazin-1-yl]ethan-1-one hydrochloride

• ChemBase ID: 268576
• Molecular Formular: C10H16ClN5O
• Molecular Mass: 257.71994
• Monoisotopic Mass: 257.10433784
• SMILES: N1(C(=O)CN)CCN(c2nccnc2)CC1.Cl
• Canonical SMILES: NCC(=O)N1CCN(CC1)c1nccnc1.Cl
• InChI: InChI=1S/C10H15N5O.ClH/c11-7-10(16)15-5-3-14(4-6-15)9-8-12-1-2-13-9;/h1-2,8H,3-7,11H2;1H
• InChIKey: PGXLOQJSGPSJLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-[4-(pyrazin-2-yl)piperazin-1-yl]ethan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-1-[4-(pyrazin-2-yl)piperazin-1-yl]ethanone hydrochloride
• Synonyms: 2-amino-1-[4-(pyrazin-2-yl)piperazin-1-yl]ethan-1-one hydrochloride

Database IDs

• MDL Number: MFCD16622151
• PubChem SID: 164324486
• PubChem CID: 47003357

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.0977144
• LogD (pH = 7.4): -2.4135187
• Log P: -1.6097136
• Molar Refractivity: 60.1673 cm^3
• Polarizability: 22.756966 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.776

Product Information

• Purity: 95%