≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=NN=C2N1CCN(C2)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | 7-O-tert-butyl 3-O-ethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylate |
| InChIKey | MNWBJXRJIWJHHY-UHFFFAOYSA-N |
| INCHI | 1S/C13H20N4O4/c1-5-20-11(18)10-15-14-9-8-16(6-7-17(9)10)12(19)21-13(2,3)4/h5-8H2,1-4H3 |
| Isomeric SMILES | CCOC(=O)C1=NN=C2N1CCN(C2)C(=O)OC(C)(C)C |
| PubChem CID | 52987663 |
| Molecular Weight | 296.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazolopyrazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrazines |
| Alternative Parents | Pyrazines Triazoles Heteroaromatic compounds Carbamate esters Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrazine - Pyrazine - Azole - Triazole - 1,2,4-triazole - Carbamic acid ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazolopyrazines. These are compounds containing a triazole ring fused to a pyrazine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4. |
| External Descriptors | Not available |
| Molecular Weight | 296.320 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 296.148 Da |
| Monoisotopic Mass | 296.148 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 409.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![7-tert-butyl 3-ethyl 5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylate - ≥97% CAS No(1215852-11-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/6/T679332.jpg)