Compound Identification
SMILES
CC1=CC(C)=NC(C#N)C(=N1)C#N
InChIKey
InChIKey=XCCHFCIVRWLYDV-UHFFFAOYSA-N
Formula
C9H8N4
Mass
172.191
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazepines
- Subclass 1,4-diazepines
-
Class
Diazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazepines
Subclass
1,4-diazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-diazepines
Alternative Parents
Ketimines Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Para-diazepine - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Imine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.
External Descriptors
Not available