for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| Canonical Smiles | CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N=NC3=O)OC)OC |
|---|---|
| IUPAC Name | 4-[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-1,2,4-triazole-3,5-dione |
| InChIKey | NPKSULYVSICWLD-UHFFFAOYSA-N |
| INCHI | 1S/C15H15N5O5/c1-19-10-7-12(25-3)11(24-2)6-9(10)16-8(13(19)21)4-5-20-14(22)17-18-15(20)23/h6-7H,4-5H2,1-3H3 |
| Isomeric SMILES | CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N=NC3=O)OC)OC |
| Molecular Weight | 345.32 |
| Reaxy-Rn | 4209496 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4209496&ln= |
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 | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoxalines |
| Alternative Parents | Anisoles Alkyl aryl ethers Pyrazines Triazolines Heteroaromatic compounds Organic carbonic acids and derivatives Lactams Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoxaline - Anisole - Alkyl aryl ether - Pyrazine - Benzenoid - Triazoline - Heteroaromatic compound - Carbonic acid derivative - Lactam - Azo compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring. |
| External Descriptors | Not available |
| Molecular Weight | 345.310 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 345.107 Da |
| Monoisotopic Mass | 345.107 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 630.000 |
| 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 |
