≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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=C2N=NC(=C(N2N=C1)N)C(=O)OCC |
|---|---|
| IUPAC Name | diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate |
| InChIKey | ZTANXDMBOGSQQH-UHFFFAOYSA-N |
| INCHI | 1S/C11H13N5O4/c1-3-19-10(17)6-5-13-16-8(12)7(11(18)20-4-2)14-15-9(6)16/h5H,3-4,12H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C1=C2N=NC(=C(N2N=C1)N)C(=O)OCC |
| PubChem CID | 6425274 |
| Molecular Weight | 279.256 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolotriazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolotriazines |
| Alternative Parents | Pyrazole carboxylic acids and derivatives 1,2,4-triazines Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolotriazine - Pyrazole-4-carboxylic acid or derivatives - Triazine - 1,2,4-triazine - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Triazine is a 6-membered ring consisting of three carbon atoms and three nitrogen centers. |
| External Descriptors | Not available |
| Molecular Weight | 279.250 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 279.097 Da |
| Monoisotopic Mass | 279.097 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 380.000 |
| 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 |
![Diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate - ≥97% , CAS No.115423-04-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)