3-amino-1-cyclopropyl-1,2-dihydropyrazin-2-one

• ChemBase ID: 247523
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: n1(c(=O)c(ncc1)N)C1CC1
• Canonical SMILES: Nc1nccn(c1=O)C1CC1
• InChI: InChI=1S/C7H9N3O/c8-6-7(11)10(4-3-9-6)5-1-2-5/h3-5H,1-2H2,(H2,8,9)
• InChIKey: MYNAPJXNDWEZOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1-cyclopropyl-1,2-dihydropyrazin-2-one
• IUPAC Traditional name: 3-amino-1-cyclopropylpyrazin-2-one
• Synonyms: 3-amino-1-cyclopropyl-1,2-dihydropyrazin-2-one

Database IDs

• MDL Number: MFCD17250489
• PubChem SID: 164303433
• PubChem CID: 62938791

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.63504523
• LogD (pH = 7.4): -0.48673934
• Log P: -0.484476
• Molar Refractivity: 39.5721 cm^3
• Polarizability: 15.030313 Å^3
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.62

Product Information

• Purity: 95%