Compound Identification
SMILES
CC(C)C(CO)NC1=NC2=C(Br)C=NN2C(NCC2=C[N+]([O-])=CC=C2)=N1
InChIKey
InChIKey=VLKCZKTWKHKTCI-UHFFFAOYSA-N
Formula
C16H20BrN7O2
Mass
422.287
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrazolotriazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrazolotriazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolotriazines
Alternative Parents
Pyrazolo[1,5-a][1,3,5]triazines 1,3,5-triazine-2,4-diamines N-aliphatic s-triazines Pyridinium derivatives 1,3,5-triazines Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organic salts Amines Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - 2,4-diamine-s-triazine - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Aryl bromide - Aryl halide - Pyridine - 1,3,5-triazine - Pyridinium - Triazine - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Triazine is a 6-membered ring consisting of three carbon atoms and three nitrogen centers.
External Descriptors
Not available