Cas no 5372-23-6 (5-Cyano-1H-imidazole-4-carboxamide Hydrate)

5-Cyano-1H-imidazole-4-carboxamide Hydrate is a heterocyclic compound featuring a cyano group and a carboxamide functionality on an imidazole core. This hydrate form enhances stability and solubility, making it suitable for synthetic applications in pharmaceutical and agrochemical research. The imidazole scaffold is a versatile building block, often utilized in the development of biologically active molecules. The presence of both electron-withdrawing (cyano) and electron-donating (carboxamide) groups allows for diverse reactivity, facilitating further derivatization. Its crystalline hydrate form ensures consistent purity and handling properties, which are critical for reproducibility in organic synthesis and medicinal chemistry workflows.
5-Cyano-1H-imidazole-4-carboxamide Hydrate structure
5372-23-6 structure
Product Name:5-Cyano-1H-imidazole-4-carboxamide Hydrate
CAS No:5372-23-6
MF:C5H4N4O
MW:136.111459732056
MDL:MFCD00129664
CID:85310
PubChem ID:87566350
Update Time:2025-11-02

5-Cyano-1H-imidazole-4-carboxamide Hydrate Chemical and Physical Properties

Names and Identifiers

    • 4-Cyano-5-imidazolecarboxamide
    • 4-Cyano-1H-imidazole-5-carboxamide
    • 4-Cyanoimidazole-5-carboxamide hydrate
    • 5-Cyano-1H-imidazole-4-carboxamide Hydrate
    • 5-Cyano-1H-imidazole-4-carboxamide
    • 4-Cyano-5-imidazolcarboxamid
    • 4-Cyanoimidazol-5-carboxamid
    • 4-cyanoimidazole-5-carboxamide
    • 1H-Imidazole-4-carboxamide, 5-cyano-
    • NSC113952
    • 5-Cyanoimidazole-4-carboxamide
    • ZERO/005874
    • 5-cyano-3H-imidazole-4-carboxamide
    • SBB013753
    • FCH991522
    • STK785166
    • OR0309
    • 1H-Imidazole-5-carboxamide,4-cyano-
    • VI
    • NSC-113952
    • SCHEMBL2477694
    • D89395
    • FT-0618282
    • 5372-23-6
    • 4-Cyano-5-Imidazole Carboxamide
    • MFCD00129664
    • AKOS005620539
    • A829751
    • TS-00027
    • DTXSID20297091
    • AKOS006223507
    • CS-0128705
    • QBKYWNHLILCGEI-UHFFFAOYSA-N
    • DB-052389
    • MDL： MFCD00129664
    • Inchi： 1S/C5H4N4O/c6-1-3-4(5(7)10)9-2-8-3/h2H,(H2,7,10)(H,8,9)
    • InChI Key： QBKYWNHLILCGEI-UHFFFAOYSA-N
    • SMILES： O=C(C1=C(C#N)N=CN1)N

Computed Properties

  • Exact Mass: 136.03900
  • Monoisotopic Mass: 136.039
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 7
  • XLogP3: -0.7
  • Topological Polar Surface Area: 95.6

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.5±0.1 g/cm3
  • Melting Point: 276-278°C
  • Boiling Point: 572.8±35.0 °C at 760 mmHg
  • Flash Point: 300.2±25.9 °C
  • Refractive Index: 1.617
  • PSA: 95.56000
  • LogP: 0.08058
  • Solubility: Not determined
  • Vapor Pressure: 0.0±1.6 mmHg at 25°C

5-Cyano-1H-imidazole-4-carboxamide Hydrate Security Information

5-Cyano-1H-imidazole-4-carboxamide Hydrate Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-Cyano-1H-imidazole-4-carboxamide Hydrate Pricemore >>

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5-Cyano-1H-imidazole-4-carboxamide Hydrate Production Method

Production Method 1

Reaction Conditions
Reference
Product class 3: imidazoles
Grimmett, M. R., Science of Synthesis, 2002, 12, 325-528

5-Cyano-1H-imidazole-4-carboxamide Hydrate Raw materials

5-Cyano-1H-imidazole-4-carboxamide Hydrate Preparation Products

5-Cyano-1H-imidazole-4-carboxamide Hydrate Related Literature

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