for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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=CC=C2C(=C1)C(=C3C2=NC4=NONC4=N3)N=NC(=O)C5=NON=C5N |
|---|---|
| IUPAC Name | 4-amino-N-(13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,8,10,14-heptaen-8-ylimino)-1,2,5-oxadiazole-3-carboxamide |
| InChIKey | VQFGZNKRRJEBMK-UHFFFAOYSA-N |
| INCHI | 1S/C14H7N9O3/c15-11-10(20-25-21-11)14(24)19-18-8-6-4-2-1-3-5(6)7-9(8)17-13-12(16-7)22-26-23-13/h1-4H,(H2,15,21)(H,17,23) |
| Molecular Weight | 349.26 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazines |
| Alternative Parents | Imidolactams Benzenoids Vinylogous amides Heteroaromatic compounds Furazans Azo compounds Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidolactam - Benzenoid - Pyrazine - Heteroaromatic compound - Vinylogous amide - Oxadiazole - Furazan - Azole - Azo compound - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 349.260 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 349.067 Da |
| Monoisotopic Mass | 349.067 Da |
| Topological Polar Surface Area | 165.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 814.000 |
| 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 |
![4-amino-N'-{13-oxa-10,12,14,16-tetraazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-ylidene}-1,2,5-oxadiazole-3-carbohydrazide - CAS No(354543-09-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/1/A1265268.jpg)