Compound Identification
SMILES
CCOC(=O)C1=C2N=NN(C(=O)N2C=N1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=FLFDOTRDOINKFC-UHFFFAOYSA-N
Formula
C13H10ClN5O3
Mass
319.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Imidazotetrazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazotetrazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazotetrazines
Alternative Parents
Chlorobenzenes Carbonylimidazoles Tetrazines N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazotetrazine - Imidazole-4-carbonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tetrazine - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazotetrazines. These are organic polycyclic compounds containing an imidazole ring fused to a tetrazine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Tetrazine is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms.
External Descriptors
Not available