2-amino-1-[4-(pyrazin-2-yl)piperazin-1-yl]propan-1-one dihydrochloride

• ChemBase ID: 268437
• Molecular Formular: C11H19Cl2N5O
• Molecular Mass: 308.20746
• Monoisotopic Mass: 307.09666561
• SMILES: N1(C(=O)C(N)C)CCN(c2nccnc2)CC1.Cl.Cl
• Canonical SMILES: CC(C(=O)N1CCN(CC1)c1nccnc1)N.Cl.Cl
• InChI: InChI=1S/C11H17N5O.2ClH/c1-9(12)11(17)16-6-4-15(5-7-16)10-8-13-2-3-14-10;;/h2-3,8-9H,4-7,12H2,1H3;2*1H
• InChIKey: USRGIBCLRRBARP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-[4-(pyrazin-2-yl)piperazin-1-yl]propan-1-one dihydrochloride
• IUPAC Traditional name: 2-amino-1-[4-(pyrazin-2-yl)piperazin-1-yl]propan-1-one dihydrochloride
• Synonyms: 2-amino-1-[4-(pyrazin-2-yl)piperazin-1-yl]propan-1-one dihydrochloride

Database IDs

• MDL Number: MFCD16622119
• PubChem SID: 164324347
• PubChem CID: 47003321

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.6911652
• LogD (pH = 7.4): -2.0614774
• Log P: -1.0409493
• Molar Refractivity: 64.6612 cm^3
• Polarizability: 24.5912 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.467

Product Information

• Purity: 95%