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CS-W001157 4
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5-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one

  • CAS No. 1003-35-6

  • Cat. No. CS-0018771
  • Purity≥95%
  • MDL No.MFCD00970120

*For research and further manufacturing use only, not for direct human use.

5-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one|CS-0018771

Structure of 1003-35-6

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General Information

  • CAS No. 1003-35-6
  • Cat. No. CS-0018771
  • Purity ≥95%
  • MDL No. MFCD00970120
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂H₄N₄O
  • Molecular Weight 100.08
  • Synonym(s) Δ2-1,2,4-Triazolin-5-one, 3-amino-; 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one; 3-Amino-5-hydroxy-1,2,4-triazole; 5-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one; NSC 138436; 5-Amino-1H-1,2,4-triazol-3(2H)-one
  • SMILES O=C1NN=C(N)N1

Description

5-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one features a polar triazolone core with an amino group enhancing solubility and reactivity. This bench-stable heterocycle integrates readily into bioactive scaffolds, serving as a key intermediate in medicinal chemistry for targeted compound synthesis.

Application

5-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of triazolone-containing heterocycles via standard coupling and cyclization protocols. Its amino and carbonyl functionalities offer orthogonal reactivity for derivatization, while its bench stability and ease of purification support scalable applications in API development and fragment-based design.

Synthesis

  • Route1
    • null|null
      932-64-9
    • ~71%
    • In-stock
      5-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one|CS-0018771
      1003-35-6

    References

    • Le Campion; De Suzzoni-Dezard; Robic; Vandais; Varenne; Noel; Ouazzani Journal of Labelled Compounds and Radiopharmaceuticals, 1999 , vol. 42, # 12 p. 1203 - 1213
  • Route2
    • null|null
      932-64-9
    • ~39%
    • null|null
      1352233-46-5
    • null|null
      960607-22-1
    • In-stock
      5-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one|CS-0018771
      1003-35-6

    References

    • Wallace, Lynne; Underwood, Christie J.; Day, Anthony I.; Buck, Damian P. New Journal of Chemistry, 2011 , vol. 35, # 12 p. 2894 - 2901
  • Route3
    • null|null
      960607-22-1
    • ~%
    • In-stock
      5-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one|CS-0018771
      1003-35-6

    References

    • New Journal of Chemistry, , vol. 35, # 12 p. 2894 - 2901

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.56
  • LogP   -1.3198
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   0

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