Structure Information
Structure

Compound Identification

SMILES

COCCNC(=O)C1=C2N=NN(CCCl)C(=O)N2C=N1

InChIKey

InChIKey=AEEFNYPXYZLJNM-UHFFFAOYSA-N

Formula

C10H13ClN6O3

Mass

300.7

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazotetrazines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Imidazotetrazines

Alternative Parents

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

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