Ethyl 2-cyano-2-[(6e)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1h-1,3,5-triazin-2-yl]acetate (CHEM287541)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 06:46:48 UTC | ||||||||
| Update Date | 2026-08-28 06:46:48 UTC | ||||||||
| Accession Number | CHEM287541 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 2-cyano-2-[(6e)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1h-1,3,5-triazin-2-yl]acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethyl 2-cyano-2-[(6e)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1h-1,3,5-triazin-2-yl]acetate belongs to the 1,3,5-triazines, a subclass of triazines within the organic compounds. This organoheterocyclic compound has the formula C14H15N5O5 and an average molecular weight of 333.30 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C14H15N5O5 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 333.107 g/mol | ||||||||
| CAS Registry Number | 77854-52-5 | ||||||||
| IUPAC Name | Ethyl 2-cyano-2-[(6e)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1h-1,3,5-triazin-2-yl]acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C(C#N)C1=NC(=NC(=C(C#N)C(=O)OCC)N1)OC | ||||||||
| InChI Identifier | InChI=1S/C14H15N5O5/c1-4-23-12(20)8(6-15)10-17-11(19-14(18-10)22-3)9(7-16)13(21)24-5-2/h8H,4-5H2,1-3H3,(H,17,18,19)/b11-9+ | ||||||||
| InChI Key | MZDKUBRXPHUTES-PKNBQFBNSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
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| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
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| Predicted Properties | Not Available | ||||||||
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| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
