≥95% 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 | C1=C2C(=O)NC(=O)NN2C=C1[N+](=O)[O-] |
|---|---|
| IUPAC Name | 6-nitro-1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione |
| InChIKey | ZJWFMXGAGGWOGF-UHFFFAOYSA-N |
| INCHI | 1S/C6H4N4O4/c11-5-4-1-3(10(13)14)2-9(4)8-6(12)7-5/h1-2H,(H2,7,8,11,12) |
| Molecular Weight | 196.12 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolotriazines |
| Subclass | Pyrrolo[2,1-f][1,2,4]triazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolo[2,1-f][1,2,4]triazines |
| Alternative Parents | Nitroaromatic compounds Substituted pyrroles 1,2,4-triazines Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,1-f][1,2,4]triazine - Nitroaromatic compound - Substituted pyrrole - Triazine - 1,2,4-triazine - Pyrrole - Heteroaromatic compound - Lactam - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole ring. |
| External Descriptors | Not available |
| Molecular Weight | 196.120 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 196.023 Da |
| Monoisotopic Mass | 196.023 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 311.000 |
| 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 |
![6-nitropyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione - ≥95% , CAS No.1245644-73-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)