Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% 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)N3C=NC=C3C(=O)N2C=N1.Cl.Cl |
|---|---|
| IUPAC Name | 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione;dihydrochloride |
| InChIKey | JDFOVNMCCJAZEY-UHFFFAOYSA-N |
| INCHI | 1S/C8H4N4O2.2ClH/c13-7-5-1-9-3-11(5)8(14)6-2-10-4-12(6)7;;/h1-4H;2*1H |
| Isomeric SMILES | C1=C2C(=O)N3C=NC=C3C(=O)N2C=N1.Cl.Cl |
| PubChem CID | 46738799 |
| Molecular Weight | 261.07 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazo[1,5-a]pyrazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazo[1,5-a]pyrazines |
| Alternative Parents | Pyrazines N-substituted imidazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazo[1,5-a]pyrazine - N-substituted imidazole - Pyrazine - Azole - Imidazole - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazo[1,5-a]pyrazines. These are aromatic heteropolycyclic compounds containing an imidazole ring fused to and sharing one nitrogen with a pyrazine ring. |
| External Descriptors | Not available |
| Molecular Weight | 261.060 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 259.987 Da |
| Monoisotopic Mass | 259.987 Da |
| Topological Polar Surface Area | 69.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 276.000 |
| 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 | 3 |