2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
Basic information
- CAS
326003-64-9- Standard SMILES
Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1- InChIKey
CSDRGXGZORTGMI-UHFFFAOYSA-N- Molecular formula
- C11H10F3N5OS
- Average molar mass
- 317.29 g/mol
- Monoisotopic mass
- 317.05581562
Names & identifiers
- Preferred name
- 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
- IUPAC
- 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Names & synonyms
326003-64-92-[(5-Amino-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide2-((5-Amino-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide2-((5-Imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamideF3394-07762-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamideMFCD01950258CBKinase1_004924CBKinase1_017324CHEMBL1556763
Show more names
HMS1801D02SMSSF-0027822STK858659AKOS000813010AKOS001664819AKOS005609370NCGC00100198-01ST024257
Database identifiers
- CAS
326003-64-9- PubChem CID
- 698450
- ChEMBL
CHEMBL1556763- EC Number
- 121-269-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…