Functional Group

  1. Functional groups
  2. azole (5-ring)
  3. heteroaromatic ring
  4. aromatic ring
  5. triazole

triazole triazole parent group

Within: azole (5-ring).

A compound has triazole 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

1,2,3-triazole triazole_123
Query graph of 1,2,3-triazole
within: triazole
1,2,4-triazole triazole_124
Query graph of 1,2,4-triazole
within: triazole

In the ATB

  • 3,907 annotated compounds have it;
  • 2 of them have experimental reference data;
  • 254 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=triazole.

Annotation scheme 2.