Compound Identification
SMILES
CC1=NC2=C(C3=CC(=NN13)C1=CC=CC=C1)C(C)=NN=C2Cl
InChIKey
InChIKey=LDSRSBOJLIWXTC-UHFFFAOYSA-N
Formula
C16H12ClN5
Mass
309.76
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazines
Alternative Parents
Phenylpyrazoles Pyrazolopyrimidines Pyrimidines and pyrimidine derivatives Pyridazines and derivatives Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazine - Phenylpyrazole - Pyrazolopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Pyrimidine - Benzenoid - Pyrazole - Azole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazines. These are aromatic heterocyclic compounds containing a pyrimidine fused to both a pyrazole and a pyridazine rings. In this ring system, pyrimidine shares one atom with the pyrazole ring, and no nitrogen atom with the pyrazole ring.
External Descriptors
Not available