General
Preferred name
AMITROLE
Synonyms
3-AMINO-1,2,4-TRIAZOLE ()
1,2,4-Triazol-3-amine, 3-AT, Aminotriazole, Amitrol, 3-Amino-1H-1,2,4-triazole, Trapidil impurity B ()
P&D ID
PD000597
CAS
11121-00-9
65312-61-0
61-82-5
Tags
available
covalent binder
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
4
EU-OPENSCREEN Bioactive Compound Library
Selleckchem Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
49
Properties
(calculated by RDKit )
Molecular Weight
84.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.61
TPSA
67.59
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
5.0
QED
0.44
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Catalase,Peroxidases
Source data
