Compound Identification
SMILES
CNCCCOc1cc(F)c(c(F)c1)-c1c(N=[N+]=[N-])nc2ncnn2c1N[C@@H](C)C(F)(F)F
InChIKey
InChIKey=CLISXJHMRRNHHR-VIFPVBQESA-N
Formula
C18H18F5N9O
Mass
471.396
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 Phenoxy compounds Phenol ethers Secondary alkylarylamines Fluorobenzenes Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Triazoles Heteroaromatic compounds Organic azides Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic zwitterions Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl azide - Triazolopyrimidine - Phenoxy compound - Phenol ether - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Alkyl aryl ether - 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 - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - 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