Compound Identification
SMILES
COCCNC(=O)C1=C2N=NN(CCCl)C(=O)N2C=N1
InChIKey
InChIKey=AEEFNYPXYZLJNM-UHFFFAOYSA-N
Formula
C10H13ClN6O3
Mass
300.7
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
2-heteroaryl carboxamides Carbonylimidazoles Tetrazines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazotetrazine - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Tetrazine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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