Compound Identification
SMILES
CCOC1=NN2C(=NN=C2C2=CC=CC=C12)C1=CC(OC)=C(OC)C(Br)=C1
InChIKey
InChIKey=LLTAQZBPJXNNKT-UHFFFAOYSA-N
Formula
C19H17BrN4O3
Mass
429.274
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Phthalazines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Phthalazines
Direct Parent
1,2,4-triazolo[3,4-a]phthalazines
Alternative Parents
Phthalazinones Phenyl-1,2,4-triazoles Dimethoxybenzenes Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Pyridazines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2,4-triazolo[3,4-a]phthalazine - Phthalazinone - Phenyl-1,2,4-triazole - Phenyltriazole - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridazine - Heteroaromatic compound - Azole - Triazole - 1,2,4-triazole - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4-triazolo[3,4-a]phthalazines. These are aromatic heteropolycyclic compounds containing a 1,2,4-triazole fused to and sharing a nitrogen atom with the diazine ring of a phthalazine moiety.
External Descriptors
Not available