Compound Identification
SMILES
C[N+]1=CC=C(CC2N3N=CN=C3N=CC2=[N+](O)[O-])C=C1
InChIKey
InChIKey=XJDXJHVNCRUSIQ-UHFFFAOYSA-N
Formula
C12H13N6O2
Mass
273.275
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
N-methylpyridinium compounds Pyrimidines and pyrimidine derivatives Pyridinium derivatives Triazoles Heteroaromatic compounds Nitronic acids Azacyclic compounds Organic salts Organic oxides Imines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - N-methylpyridinium - Pyridine - Pyridinium - Pyrimidine - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Nitronic acid - Azacycle - Organic salt - Organic nitrogen compound - Imine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available