Compound Identification
SMILES
CC1=NC2=C(C3=CC(=NN13)C1=CC=CC=C1)C(C)=NN(CC(O)=O)C2=O
InChIKey
InChIKey=RKAFNSCAZHOWCD-UHFFFAOYSA-N
Formula
C18H15N5O3
Mass
349.35
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
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-ones
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-ones
Alternative Parents
Phenylpyrazoles Alpha amino acids and derivatives Pyrazolopyrimidines Pyridazinones Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-one - Phenylpyrazole - Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyridazinone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Pyridazine - Azole - Heteroaromatic compound - Pyrazole - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-ones. These are aromatic heterocyclic compounds containing a pyrimidine fused to both a pyrazole and a pyridazine rings. The resulting ring system carries an oxo group at the 4-position. Here, the pyrimidine ring shares one atom with the pyrazole ring, and no nitrogen atom with the pyrazole ring.
External Descriptors
Not available