3-hydrazinyl-1-methyl-1,2-dihydropyrazin-2-one

• ChemBase ID: 285034
• Molecular Formular: C5H8N4O
• Molecular Mass: 140.14322
• Monoisotopic Mass: 140.0698109
• SMILES: c1(c(=O)n(ccn1)C)NN
• Canonical SMILES: Cn1ccnc(c1=O)NN
• InChI: InChI=1S/C5H8N4O/c1-9-3-2-7-4(8-6)5(9)10/h2-3H,6H2,1H3,(H,7,8)
• InChIKey: RBSMUNOPWWBNQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-1-methyl-1,2-dihydropyrazin-2-one
• IUPAC Traditional name: 3-hydrazinyl-1-methylpyrazin-2-one
• Synonyms: 3-hydrazinyl-1-methyl-1,2-dihydropyrazin-2-one

Database IDs

• MDL Number: MFCD17250001
• PubChem SID: 180670565
• PubChem CID: 62940416

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2469164
• LogD (pH = 7.4): -1.1825601
• Log P: -1.181683
• Molar Refractivity: 47.3378 cm^3
• Polarizability: 13.521398 Å^3
• Polar Surface Area: 70.72 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): -0.768

Product Information

• Purity: 95%