N-(4-amino-1,2,5-oxadiazol-3-yl)acetamide

• ChemBase ID: 18770
• Molecular Formular: C4H6N4O2
• Molecular Mass: 142.11604
• Monoisotopic Mass: 142.04907545
• SMILES: c1(c(non1)N)NC(=O)C
• Canonical SMILES: CC(=O)Nc1nonc1N
• InChI: InChI=1S/C4H6N4O2/c1-2(9)6-4-3(5)7-10-8-4/h1H3,(H2,5,7)(H,6,8,9)
• InChIKey: GVZQUWHSBVLLCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-1,2,5-oxadiazol-3-yl)acetamide
• IUPAC Traditional name: furazanamine, 4-(acetylamino)-
• Synonyms: N-(4-Amino-1,2,5-oxadiazol-3-yl)acetamide; N-(4-Amino-furazan-3-yl)-acetamide; N-(4-amino-1,2,5-oxadiazol-3-yl)acetamide

Database IDs

• CAS Number: 140706-47-4
• MDL Number: MFCD02334723
• PubChem SID: 160982077
• PubChem CID: 536687

CALCULATED PROPERTIES

• Acid pKa: 10.444569
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.84021413
• LogD (pH = 7.4): -0.84058166
• Log P: -0.8402094
• Molar Refractivity: 36.619 cm^3
• Polarizability: 11.6928005 Å^3
• Polar Surface Area: 94.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C4H6N4O2

DETAILS

Sigma Aldrich - CBR00434

Other Notes
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Legal Information
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