[4-(1h-1,2,4-triazol-5-yl)phenyl]urea (CED0316355)

Record Information
Version1.0
Creation Date2026-09-01 17:36:52 UTC
Update Date2026-09-01 17:36:52 UTC
SynCED IDCED0316355
Secondary Accession Numbers
  • CHEM362335
Identification
Common Name[4-(1h-1,2,4-triazol-5-yl)phenyl]urea
ClassSmall Molecule
Description
[4-(1h-1,2,4-triazol-5-yl)phenyl]urea is a chemical compound with the formula C9H9N5O. It has an average molecular weight of 203.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H9N5O
Average Molecular MassNot Available
Monoisotopic Mass203.081 g/mol
CAS Registry Number3458-01-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC(=CC=C1C2=NC=NN2)NC(=O)N
InChI IdentifierInChI=1S/C9H9N5O/c10-9(15)13-7-3-1-6(2-4-7)8-11-5-12-14-8/h1-5H,(H3,10,13,15)(H,11,12,14)
InChI KeyFMJKXQFSKJQESD-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
1781.0 Log mg/kg [1000:3200]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
No Sources linked to this compound
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.315
Statistical Significance
0.1343
Supporting Reference Compounds
1660
E-value
1045.59
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.306
Statistical Significance
0.1296
Supporting Reference Compounds
1274
E-value
1008.85
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.315
Statistical Significance
0.1032
Supporting Reference Compounds
905
E-value
803.638
LIM domain kinase 1 structureClick to view 3D structureLIM domain kinase 1P53667HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.333
Statistical Significance
0.0683
Supporting Reference Compounds
565
E-value
531.477
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.304
Statistical Significance
0.1021
Supporting Reference Compounds
834
E-value
795.23
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.333
Statistical Significance
0.1064
Supporting Reference Compounds
811
E-value
828.627
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.304
Statistical Significance
0.1143
Supporting Reference Compounds
906
E-value
889.894
Mitogen-activated protein kinase 8 structureClick to view 3D structureMitogen-activated protein kinase 8P45983HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1225
Supporting Reference Compounds
782
E-value
953.575
Mitogen-activated protein kinase 9 structureClick to view 3D structureMitogen-activated protein kinase 9P45984HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1184
Supporting Reference Compounds
758
E-value
921.735
Vascular endothelial growth factor receptor 1 structureClick to view 3D structureVascular endothelial growth factor receptor 1P17948HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1118
Supporting Reference Compounds
711
E-value
870.043
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1385
Supporting Reference Compounds
1010
E-value
1078.6
Serine/threonine-protein kinase PAK 4 structureClick to view 3D structureSerine/threonine-protein kinase PAK 4O96013HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1116
Supporting Reference Compounds
728
E-value
868.719
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.147
Supporting Reference Compounds
961
E-value
1144.69
High affinity nerve growth factor receptor structureClick to view 3D structureHigh affinity nerve growth factor receptorP04629HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1363
Supporting Reference Compounds
869
E-value
1061.16
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1346
Supporting Reference Compounds
927
E-value
1047.85
BDNF/NT-3 growth factors receptor structureClick to view 3D structureBDNF/NT-3 growth factors receptorQ16620HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1168
Supporting Reference Compounds
721
E-value
908.968
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1618
Supporting Reference Compounds
1157
E-value
1259.83
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1427
Supporting Reference Compounds
996
E-value
1110.6
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1151
Supporting Reference Compounds
707
E-value
896.434
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1626
Supporting Reference Compounds
1130
E-value
1265.59
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1117
Supporting Reference Compounds
735
E-value
869.342
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1352
Supporting Reference Compounds
967
E-value
1052.83
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.13
Supporting Reference Compounds
934
E-value
1011.88
Ribosomal protein S6 kinase alpha-3 structureClick to view 3D structureRibosomal protein S6 kinase alpha-3P51812HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.1117
Supporting Reference Compounds
733
E-value
869.732
Death-associated protein kinase 3 structureClick to view 3D structureDeath-associated protein kinase 3O43293HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.0973
Supporting Reference Compounds
599
E-value
757.551
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available