| Sonrisas canónicas | C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-].O.O.O |
|---|---|
| IUPAC Name | 5-nitro-1,3-diazinane-2,4,6-trione;trihydrate |
| InChIKey | MXFRQEURRMBYRS-UHFFFAOYSA-N |
| INCHI | 1S/C4H3N3O5.3H2O/c8-2-1(7(11)12)3(9)6-4(10)5-2;;;/h1H,(H2,5,6,8,9,10);3*1H2 |
| Isómeros SMILES | C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-].O.O.O |
| PubChem CID | 60145881 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Nitropyrimidines Barbituric acid derivatives Diazinanes 1,3-dicarbonyl compounds Dicarboximides Organic carbonic acids and derivatives C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - Nitropyrimidine - Barbiturate - Pyrimidone - 1,3-dicarbonyl compound - Pyrimidine - 1,3-diazinane - Dicarboximide - Organic nitro compound - Carbonic acid derivative - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 227.130 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 0 |
| Exact Mass | 227.039 Da |
| Monoisotopic Mass | 227.039 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 | 4 |
