Lot numbers can be found on the outside label of a product:
1H-1,2,4-Triazol-3(2H)-one
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CAS No. 930-33-6
- Cat. No. CS-0044804
- Purity≥97%
- MDL No.MFCD01311031
*For research and further manufacturing use only, not for direct human use.
Structure of 930-33-6
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General Information
- CAS No. 930-33-6
- Cat. No. CS-0044804
- Purity ≥97%
- MDL No. MFCD01311031
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₂H₃N₃O
- Molecular Weight 85.06
- Synonym(s) 3H-1,2,4-Triazol-3-one, 1,2-dihydro-
- SMILES O=C1NNC=N1
Description
1H-1,2,4-Triazol-3(2H)-one is a bench-stable heterocyclic scaffold featuring a fused triazole ring system with dual hydrogen-bond donor/acceptor capabilities. This polar, electron-deficient core integrates readily into bioactive molecules, enabling strong molecular recognition in medicinal chemistry and materials applications.
Application
1H-1,2,4-Triazol-3(2H)-one serves as a versatile heterocyclic building block in medicinal chemistry and catalysis. Its amide-like reactivity enables direct incorporation into peptide mimetics and bioactive scaffolds. The compound exhibits good bench stability, facilitates straightforward purification, and functions as a reliable synthon in transition-metal-catalyzed couplings and heterocycle elaborations.
Synthesis
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Route1
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In-stock
563-41-7 - ~97%
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In-stock
930-33-6
References
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Cowden, Cameron John Patent: US2003/187274 A1, 2003 ;
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Route2
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64-18-6 -
In-stock
563-41-7
- ~93%
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In-stock
930-33-6
References
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Fan, Leimin; Dass, Chhabil; Burkey, Theodore J. Journal of Labelled Compounds and Radiopharmaceuticals, 1996 , vol. 38, # 1 p. 87 - 94
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Route3
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29983-26-4
- ~2%
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4114-42-5 -
In-stock
930-33-6
References
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Heteroatom Chemistry, , vol. 14, # 1 p. 50 - 55
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 61.54
- LogP -0.902
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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