Functional Group

  1. Functional groups
  2. heteroaromatic ring
  3. aromatic ring
  4. azine (6-ring)

azine (6-ring) azine parent group

Within: heteroaromatic ring.

A compound has azine (6-ring) when it has any of the groups below. A parent group is never matched itself, and its count of a compound is the number of occurrences of all of them together.

Groups directly under it

pyridine pyridine
Query graph of pyridine
within: azine (6-ring)
pyrimidine pyrimidine
Query graph of pyrimidine
within: azine (6-ring)
pyridinone (2-/4-pyridone) pyridinone
Query graph of pyridinone (2-/4-pyridone)
within: azine (6-ring), heteroaromatic lactam (pyridinone, pyrimidinone)
pyrimidinone (uracil/cytosine type) pyrimidinone
Query graph of pyrimidinone (uracil/cytosine type)
within: azine (6-ring), heteroaromatic lactam (pyridinone, pyrimidinone)
pyrazine pyrazine
Query graph of pyrazine
within: azine (6-ring)
pyridazine pyridazine
Query graph of pyridazine
within: azine (6-ring)
1,3,5-triazine triazine
Query graph of 1,3,5-triazine
within: azine (6-ring)
1,2,3-/1,2,4-triazine triazine_12x
Query graph of 1,2,3-/1,2,4-triazine
within: azine (6-ring)
tetrazine tetrazine
Query graph of tetrazine
within: azine (6-ring)

In the ATB

  • 11,112 annotated compounds have it;
  • 95 of them have experimental reference data;
  • 680 are monofunctional: this is their only group, once (rings count as groups, so a phenol is not).

The annotated compounds are those with experimental reference data plus small, neutral organic compounds (up to 12 heavy atoms), not every ATB molecule. Through the API: GET /api/v1/molecules?functional_group=azine.

Annotation scheme 2.