Cyanuric acid

Details

• Internal ID: 1ba54d52-2ca7-4831-af1d-acd0a0e4b4ae
• Taxonomy: Organoheterocyclic compounds > Triazines > 1,3,5-triazines
• IUPAC Name: 1,3,5-triazinane-2,4,6-trione
• SMILES (Canonical): C1(=O)NC(=O)NC(=O)N1
• SMILES (Isomeric): C1(=O)NC(=O)NC(=O)N1
• InChI: InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
• InChI Key: ZFSLODLOARCGLH-UHFFFAOYSA-N
• Popularity: 1,734 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃H₃N₃O₃
• Molecular Weight: 129.07 g/mol
• Exact Mass: 129.01744097 g/mol
• Topological Polar Surface Area (TPSA): 87.30 Ų
• XlogP: -1.20

Synonyms

• 108-80-5
• 1,3,5-Triazine-2,4,6-triol
• Isocyanuric acid
• Trihydroxycyanidine
• Tricyanic acid
• sym-Triazinetriol
• s-Triazinetriol
• 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione
• Pseudocyanuric acid
• 1,3,5-triazinane-2,4,6-trione
• Isocyanurate acid
• 2,4,6-Trihydroxy-1,3,5-triazine
• Tricarbimide
• s-Triazine-2,4,6-triol
• s-2,4,6-Triazinetriol
• Trihydroxytriazine
• Kyselina kyanurova
• s-Cyanuric acid
• Cyanuric acid (VAN)
• s-Triazinetrione
• s-Triazine-2,4,6(1H,3H,5H)-trione
• Kyselina kyanurova [Czech]
• 5-Azabarbituric acid
• sym-triazine-2,4,6-triol
• cyanurate
• Cyanursaure
• Triazinetrione
• Triazine-2,4,6-triol
• NSC 6284
• s-Triazine-2,4,6-trione
• 2,4,6-Trihydroxy-S-triazine
• DTXSID7024873
• 2,4,6-Triazinetrione
• 2,4,6-Trihydroxytriazine
• H497R4QKTZ
• CHEBI:17696
• 1,3,5-Triazin-2,4,6-triol
• NSC-6284
• Triazine-2,4,6(1H,3H,5H)-trione
• 2,4,6-Trioxohexahydro-1,3,5-triazine
• DTXCID304873
• Caswell No. 862
• CAS-108-80-5
• CCRIS 5895
• HSDB 2818
• EINECS 203-618-0
• UNII-H497R4QKTZ
• EPA Pesticide Chemical Code 081402
• CP 4789
• isocyanurate
• Trihydroxy-1,3,5-triazine
• Cyanursaeure
• Isocyanursaeure
• Isozyanursaeure
• Zyanursaeure
• Zyanursaure
• AI3-26483
• iso cyanuric acid
• WDL
• Normal cyanuric acid
• s-2,6-Triazinetriol
• Cyanuric acid, 98%
• s-Triazine-2,6-triol
• bmse000135
• Kyselina kyanurova(CZECH)
• EC 203-618-0
• CYANURIC ACID [MI]
• SCHEMBL20706
• CYANURIC ACID [HSDB]
• CHEMBL243087
• SCHEMBL12145619
• CHEBI:38028
• NSC6284
• 2,6-Trihydroxy-1,3,5-triazine
• Cyanuric acid, analytical standard
• WLN: T6N CN ENJ BQ DQ FQ
• Tox21_202362
• Tox21_303192
• MFCD00082990
• (C O)3 (N H)3
• AKOS000297068
• AKOS023552913
• s-Triazine-2,6(1H,3H,5H)-trione
• CS-W011123
• HY-W010407
• SB73670
• NCGC00249215-01
• NCGC00257109-01
• NCGC00259911-01
• 504-19-8
• AC-11368
• AS-14694
• 1,5-Triazine-2,4,6(1H,3H,5H)-trione
• FT-0624143
• FT-0665325
• EN300-24846
• C06554
• E82993
• s-Triazine-2,4,6(1H,3H,5H)-trione (8CI)
• 1,3,5-Triazine-2,4, 6(1H,3H,5H)-trione
• A801927
• Cyanuric acid, purum, anhydrous, >=98.0% (T)
• Q411314
• 1,3,5-Triazine-2,4,6-triol (ACD/Name 4.0)
• W-108712
• F0001-0180
• Z203045102
• InChI=1/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL262	P49841	Glycogen synthase kinase-3 beta	89.62%	95.72%
CHEMBL255	P29275	Adenosine A2b receptor	85.95%	98.59%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.71%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.52%	95.56%

Plants that contains it

• Acokanthera oblongifolia

Cross-Links

• PubChem: 7956
• LOTUS: LTS0096490
• wikiData: Q411314