2h-benzotriazol-5-ylmethanol (CED0207344)

Record Information
Version1.0
Creation Date2026-08-24 07:12:41 UTC
Update Date2026-08-24 07:12:41 UTC
SynCED IDCED0207344
Secondary Accession Numbers
  • CHEM245569
Identification
Common Name2h-benzotriazol-5-ylmethanol
ClassSmall Molecule
Description
2h-benzotriazol-5-ylmethanol belongs to the benzotriazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C7H7N3O and an average molecular weight of 149.15 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H7N3O
Average Molecular Mass149.150 g/mol
Monoisotopic Mass149.059 g/mol
CAS Registry Number106429-67-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C7H7N3O/c11-4-5-1-2-6-7(3-5)9-10-8-6/h1-3,11H,4H2,(H,8,9,10)
InChI KeyUWJOSAIHEQFOID-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
898.0 Log mg/kg [500:1600]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.424
Statistical Significance
0.2972
Supporting Reference Compounds
1157
E-value
2313.68
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.424
Statistical Significance
0.2536
Supporting Reference Compounds
906
E-value
1974.18
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.424
Statistical Significance
0.2473
Supporting Reference Compounds
754
E-value
1925.6
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.424
Statistical Significance
0.3568
Supporting Reference Compounds
1660
E-value
2777.82
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.309
Statistical Significance
0.2299
Supporting Reference Compounds
955
E-value
1790.06
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.293 Low confidence
Statistical Significance
0.1032
Supporting Reference Compounds
372
E-value
803.093
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0476
Supporting Reference Compounds
172
E-value
370.407
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0197
Supporting Reference Compounds
78
E-value
153.363
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0344
Supporting Reference Compounds
157
E-value
267.879
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.424
Statistical Significance
0.2611
Supporting Reference Compounds
779
E-value
2032.8
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.424
Statistical Significance
0.285
Supporting Reference Compounds
834
E-value
2218.47
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.424
Statistical Significance
0.2718
Supporting Reference Compounds
727
E-value
2115.71
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.424
Statistical Significance
0.3358
Supporting Reference Compounds
1017
E-value
2614.33
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.424
Statistical Significance
0.2801
Supporting Reference Compounds
742
E-value
2180.56
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.424
Statistical Significance
0.2744
Supporting Reference Compounds
735
E-value
2136.49
Serine/threonine-protein kinase Chk2 structureClick to view 3D structureSerine/threonine-protein kinase Chk2O96017HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.424
Statistical Significance
0.2229
Supporting Reference Compounds
537
E-value
1735.34
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.309
Statistical Significance
0.2406
Supporting Reference Compounds
953
E-value
1872.9
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.424
Statistical Significance
0.3055
Supporting Reference Compounds
811
E-value
2378.53
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.424
Statistical Significance
0.273
Supporting Reference Compounds
674
E-value
2124.97
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.424
Statistical Significance
0.339
Supporting Reference Compounds
967
E-value
2639.48
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.424
Statistical Significance
0.3523
Supporting Reference Compounds
1010
E-value
2742.39
Serine/threonine-protein kinase PAK 4 structureClick to view 3D structureSerine/threonine-protein kinase PAK 4O96013HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.424
Statistical Significance
0.3015
Supporting Reference Compounds
728
E-value
2347.0
Serine/threonine-protein kinase Chk1 structureClick to view 3D structureSerine/threonine-protein kinase Chk1O14757HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.424
Statistical Significance
0.3191
Supporting Reference Compounds
807
E-value
2484.48
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.309
Statistical Significance
0.2656
Supporting Reference Compounds
823
E-value
2067.83
Click to view 3D structureMyeloperoxidaseP11247Mus musculusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0013
Supporting Reference Compounds
1
E-value
10.4318
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available