((4,6-Diamino-1,3,5-triazin-2-yl)imino)bismethanol (CED0126116)

Record Information
Version1.0
Creation Date2026-04-03 22:17:53 UTC
Update Date2026-04-03 22:17:53 UTC
Accession NumberCHEM068457
Identification
Common Name((4,6-Diamino-1,3,5-triazin-2-yl)imino)bismethanol
ClassSmall Molecule
Description
((4,6-Diamino-1,3,5-triazin-2-yl)imino)bismethanol belongs to the aminotriazines, a subclass of triazines within the organic compounds. This organoheterocyclic compound has the chemical formula C5H10N6O2 and an average molecular weight of 186.18 g/mol. It is found in or released from one recorded source: electrical and electronic equipment, specifically gas filled discharge tubes with solid cathodes.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H10N6O2
Average Molecular Mass186.175 g/mol
Monoisotopic Mass186.087 g/mol
CAS Registry Number31962-32-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESNC1=NC(=NC(N)=N1)N(CO)CO
InChI IdentifierInChI=1S/C5H10N6O2/c6-3-8-4(7)10-5(9-3)11(1-12)2-13/h12-13H,1-2H2,(H4,6,7,8,9,10)
InChI KeyLTHDXRBQYLHLTE-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
2701.0Log mg/kg[1500:4800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
641Foam DyeingTextiles, 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 structureAdenosine transporter 1Q9Y0I0Trypanosoma bruceiPredicted (SEA)0.778492
Click to view 3D structureExopolyphosphatase PRUNE1Q86TP1HumansPredicted (SEA)0.233548
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ07422Toxoplasma gondiiPredicted (SEA)523.147
Click to view 3D structurePurine nucleoside phosphorylaseP23492Mus musculusPredicted (SEA)2.80257
Click to view 3D structureDihydrofolate reductaseQ920D2Rattus norvegicusPredicted (SEA)496.289
Click to view 3D structurePurine nucleoside phosphorylaseP55859Bos taurusPredicted (SEA)6.30579
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP16184Pneumocystis cariniiPredicted (SEA)549.382
Click to view 3D structureNitric oxide synthase 3Q28969Sus scrofaPredicted (SEA)2.88042
Purine nucleoside phosphorylase structureClick to view 3D structurePurine nucleoside phosphorylaseP00491HumansPredicted (SEA)35.5771
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)3330.08
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)4882.0
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)6938.16
Click to view 3D structureMultidrug and toxin extrusion protein 1Q8K0H1Mus musculusPredicted (SEA)73.8789
cGMP-dependent 3',5'-cyclic phosphodiesterase structureClick to view 3D structurecGMP-dependent 3',5'-cyclic phosphodiesteraseO00408HumansPredicted (SEA)3247.4
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform structureClick to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoformP48736HumansPredicted (SEA)5790.19
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7390.77
Click to view 3D structureDihydrofolate reductaseP07807Saccharomyces cerevisiae S288cPredicted (SEA)24.9118
Pteridine reductase 1 structureClick to view 3D structurePteridine reductase 1Q01782Leishmania majorPredicted (SEA)451.759
Cyclin-dependent kinase 9 structureClick to view 3D structureCyclin-dependent kinase 9P50750HumansPredicted (SEA)6574.44
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseP07382Leishmania majorPredicted (SEA)953.653
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)5618.85
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)7150.06
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00381Lactobacillus caseiPredicted (SEA)1271.9
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform structureClick to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoformP42336HumansPredicted (SEA)6656.03
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)7418.33
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available