terbuthylazine

Identification (Source:EPA,EU)

ID 1121
Name terbuthylazine
CAS 5915-41-3
IUPAC
Inchi InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
CIPAC 234
EPA Code 080814
Formula C9H16ClN5
SMILES Clc1nc(nc(n1)NC(C)(C)C)NCC
Status Approved

Classification

Mode of Action Broad-spectrum with strong and rapid effects
Pesticide Type Herbicide, Microbiocide, Algicide
Chemical Group Triazine
Classification chlorotriazine herbicides

Properties (Source:PubChem)

Molecular Weight 229.71
Physical State White crystalline powder
AlogP 1.795
H-Bond Donor 2
H-Bond Acceptor 5
Surface Area 247.76
Polar Surface Area 62.73

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 0.012 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.167 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.019 mg l-1
Aquatic invertebrates Acute 48 hour EC50 21.2 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.0128 mg l-1
Birds Acute LD50 > 1236 mg kg-1
Birds Short term dietary LC50/LD50 > 395 mg/kg bw/day
Earthworms Acute 14 day LD50 > 141.7 mg kg-1
Fish Chronic 21 day NOEC 0.09 mg l-1
Fish Acute 96 hour LC50 2.2 mg l-1
Honeybees Acute 48 hour LD50 > 22.6 μg bee-1
Mammals Acute oral LD50 > 1000 mg kg-1
Mammals Short term dietary NOEL > 0.22 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.5 mg kg-1
Bio-concentration factor CT50 0.8 days
Bio-concentration factor BCF 34

Related targets

Target Name RScore (About this table)
Tyrosinase 33(0,1,1,3) Details
glutathione S transferases 15(0,0,2,5) Details
C18 12(0,0,1,7) Details
UDPGT 8(0,0,1,3) Details
Koc 5(0,0,0,5) Details
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