1-ethenyl-1,2,4-triazole (CED0180780)

Record Information

Version

1.0

Creation Date

2026-08-22 17:25:41 UTC

Update Date

2026-08-22 17:25:41 UTC

SynCED ID

CED0180780

Secondary Accession Numbers

CHEM218588

Identification

Common Name

1-ethenyl-1,2,4-triazole

Class

Small Molecule

Description

1-ethenyl-1,2,4-triazole belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C4H5N3 and an average molecular weight of 95.10 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₅N₃

Average Molecular Mass

95.100 g/mol

Monoisotopic Mass

95.048 g/mol

CAS Registry Number

2764-83-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C4H5N3/c1-2-7-4-5-3-6-7/h2-4H,1H2

InChI Key

ITUNZCVRYICLQM-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
227.0 Log mg/kg [130:400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000070	Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.	Automotive & urban infrastructure	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	Not Available
CEDs000598	Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.	Agriculture & land management	Not Available
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	Not Available
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	Not Available
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	Not Available
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	UDP-glucuronosyltransferase 1A4	P22310	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.238 Low confidence Statistical Significance 2.50e-04 Supporting Reference Compounds 1 E-value 1.94623
Click to view 3D structure	Imidazoleglycerol-phosphate dehydratase	P0CO23	Cryptococcus neoformans var. neoformans B-3501A	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.217 Low confidence Statistical Significance 4.20e-04 Supporting Reference Compounds 1 E-value 3.26967
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4D	P14270	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.204 Low confidence Statistical Significance 5.80e-04 Supporting Reference Compounds 1 E-value 4.51525
Click to view 3D structure	Cytochrome P450 14alpha-demethylase	A1XG20	Penicillium digitatum	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.191 Low confidence Statistical Significance 0.0059 Supporting Reference Compounds 3 E-value 46.3203
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.238 Low confidence Statistical Significance 0.4715 Supporting Reference Compounds 127 E-value 3670.82
Click to view 3D structure	Coenzyme A biosynthesis bifunctional protein CoaBC	P9WNZ1	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.173 Low confidence Statistical Significance 0.0175 Supporting Reference Compounds 1 E-value 136.392
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.205 Low confidence Statistical Significance 0.9817 Supporting Reference Compounds 825 E-value 7642.77
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.205 Low confidence Statistical Significance 0.9924 Supporting Reference Compounds 1538 E-value 7725.6
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.205 Low confidence Statistical Significance 0.9909 Supporting Reference Compounds 1245 E-value 7714.31
Click to view 3D structure	Allene oxide synthase, chloroplastic	Q96242	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.155 Low confidence Statistical Significance 0.1046 Supporting Reference Compounds 1 E-value 814.614
Click to view 3D structure	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.196 Low confidence Statistical Significance 0.8086 Supporting Reference Compounds 76 E-value 6295.28
Click to view 3D structure	Lanosterol 14-alpha demethylase	P10613	Yeast	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.205 Low confidence Statistical Significance 0.3165 Supporting Reference Compounds 11 E-value 2463.62
Click to view 3D structure	Aromatase	P22443	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.238 Low confidence Statistical Significance 0.0125 Supporting Reference Compounds 7 E-value 97.0001
Click to view 3D structure	Monoglyceride lipase	Q8R431	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.196 Low confidence Statistical Significance 0.3844 Supporting Reference Compounds 21 E-value 2992.91
Click to view 3D structure	Cytochrome P450 11B1, mitochondrial	P15538	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.237 Low confidence Statistical Significance 0.7676 Supporting Reference Compounds 66 E-value 5975.94
Click to view 3D structure	Cytochrome P450 11B2, mitochondrial	P19099	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.237 Low confidence Statistical Significance 0.7356 Supporting Reference Compounds 62 E-value 5726.35
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.204 Low confidence Statistical Significance 0.9957 Supporting Reference Compounds 1130 E-value 7751.6
Click to view 3D structure	DNA-3-methyladenine glycosylase 1	P05100	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.146 Low confidence Statistical Significance 0.0321 Supporting Reference Compounds 1 E-value 249.818
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.204 Low confidence Statistical Significance 0.9949 Supporting Reference Compounds 793 E-value 7745.45
Click to view 3D structure	Sterol 14-alpha demethylase	Q7Z1V1	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.205 Low confidence Statistical Significance 0.6544 Supporting Reference Compounds 16 E-value 5094.61
Click to view 3D structure	Dihydropyrimidine dehydrogenase [NADP(+)]	Q12882	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0103 Supporting Reference Compounds 1 E-value 80.4182
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.196 Low confidence Statistical Significance 0.9584 Supporting Reference Compounds 106 E-value 7460.99
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.196 Low confidence Statistical Significance 0.7574 Supporting Reference Compounds 34 E-value 5896.38
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.185 Low confidence Statistical Significance 0.9808 Supporting Reference Compounds 226 E-value 7635.22
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.185 Low confidence Statistical Significance 0.9809 Supporting Reference Compounds 227 E-value 7636.39