6-(2-hydroxyethyl)-1,4-bis(hydroxymethyl)-1,3,5-triazin-2-one (CED0311614)

Record Information
Version1.0
Creation Date2026-09-01 10:25:38 UTC
Update Date2026-09-01 10:25:38 UTC
Accession NumberCHEM357388
Identification
Common Name6-(2-hydroxyethyl)-1,4-bis(hydroxymethyl)-1,3,5-triazin-2-one
ClassSmall Molecule
Description
6-(2-hydroxyethyl)-1,4-bis(hydroxymethyl)-1,3,5-triazin-2-one is a chemical compound with the formula C7H11N3O4. It has an average molecular weight of 201.18 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H11N3O4
Average Molecular MassNot Available
Monoisotopic Mass201.075 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(CO)C1=NC(=NC(=O)N1CO)CO
InChI IdentifierInChI=1S/C7H11N3O4/c11-2-1-6-8-5(3-12)9-7(14)10(6)4-13/h11-13H,1-4H2
InChI KeyMEOFBWPFVVBHJF-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2410.0Log mg/kg[1400:4300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
645Inorganic FibresTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureType-1 angiotensin II receptor BP29089Rattus norvegicusPredicted (SEA)592.355
Click to view 3D structureType-1 angiotensin II receptorP25104Bos taurusPredicted (SEA)288.042
Click to view 3D structureType-2 angiotensin II receptorP35351Rattus norvegicusPredicted (SEA)811.578
Type-2 angiotensin II receptor structureClick to view 3D structureType-2 angiotensin II receptorP50052HumansPredicted (SEA)1214.76
Click to view 3D structureType-1 angiotensin II receptorP34976Oryctolagus cuniculusPredicted (SEA)888.649
Click to view 3D structureComplement component 3a receptor 1, isoform CRA_aA8K2H7Homo sapiensPredicted (SEA)364.568
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)4681.39
Click to view 3D structureType-1 angiotensin II receptor AP25095Rattus norvegicusPredicted (SEA)1439.74
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)6694.57
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)7064.82
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)7297.98
Histone deacetylase 5 structureClick to view 3D structureHistone deacetylase 5Q9UQL6HumansPredicted (SEA)5966.83
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)6181.38
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)6768.06
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)6569.07
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)6572.65
Click to view 3D structurePolyamine deacetylase HDAC10Q969S8HumansPredicted (SEA)5934.21
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)6172.51
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7701.08
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7728.33
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7684.42
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)6657.9
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)4945.84
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7708.24
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)7573.02
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available