triazoxide

CHEBI:83335 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A member of the class of benzotriazines that is 1,2,4-benzotriazine 1-oxide which is substituted by chlorine at position 7 and by a 1H-imidazol-1-yl group at position 3. A fungicide, it is used as a seed treatment for control of seed-borne Pyrenophora graminea and Pyrenophora teres in barley. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:24780 CHEBI:24780
CHEBI:35580 CHEBI:35580
CHEBI:36683 CHEBI:36683
CHEBI:51361 CHEBI:51361
CHEBI:87068 CHEBI:87068

Chemical structure

Computed structure properties
Molecular formula	C10H6ClN5O
Charge	0
Average mass	247.645 Da
Monoisotopic mass	247.02609 Da
Source	ChEBI
InChIKey	IQGKIPDJXCAMSM-UHFFFAOYSA-N

SMILES

[O-][n+]1nc(-n2ccnc2)nc2ccc(Cl)cc21

InChI

InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H

Also called

7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide (EXACT_SYNONYM)— chebi
7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine 1-oxide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:72459-58-6
patent:DE2802488
patent:US4239760
pdb-ccd:triazoxide
ppdb:654
reaxys:617803

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:24127 CHEBI:24127
CHEBI:35718 CHEBI:35718
CHEBI:86328 CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:83335`	triazoxide	`antibioticmech:chebi-4a025c5f20`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.