Compound Identification
SMILES
C[C@H](Nc1c(c(N=[N+]=[N-])nc2ncnn12)-c1c(F)cc(F)cc1F)C(F)(F)F
InChIKey
InChIKey=DFGRCRLQNKYQQJ-YFKPBYRVSA-N
Formula
C14H8F6N8
Mass
402.264
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
Aryl azides Secondary alkylarylamines Fluorobenzenes Pyrimidines and pyrimidine derivatives Triazoles Heteroaromatic compounds Organic azides Azacyclic compounds Organopnictogen compounds Organofluorides Organic zwitterions Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl azide - Triazolopyrimidine - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Triazole - Azole - Organoazide - Organic azide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - 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