1-(4-Amino-1,2,5-oxadiazol-3-YL)-N'-((E)-1-(4-((4-chlorobenzyl)oxy)phenyl)ethylidene)-4-phenyl-1H-1,2,3-triazole-5-carbohydrazide
Basic information
- CAS
478251-01-3- Standard SMILES
C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc(OCc2ccc(Cl)cc2)cc1- InChIKey
OSAYFDUCLVYYCR-MUFRIFMGSA-N- Molecular formula
- C26H21ClN8O3
- Average molar mass
- 528.9 g/mol
- Monoisotopic mass
- 528.1425143
Names & identifiers
- Preferred name
- 1-(4-Amino-1,2,5-oxadiazol-3-YL)-N'-((E)-1-(4-((4-chlorobenzyl)oxy)phenyl)ethylidene)-4-phenyl-1H-1,2,3-triazole-5-carbohydrazide
- IUPAC
- 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-5-phenyltriazole-4-carboxamide
Names & synonyms
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-1-{4-[(4-chlorobenzyl)oxy]phenyl}ethylidene)-4-phenyl-1H-1,2,3-triazole-5-carbohydrazide1-(4-Amino-1,2,5-oxadiazol-3-YL)-N'-((E)-1-(4-((4-chlorobenzyl)oxy)phenyl)ethylidene)-4-phenyl-1H-1,2,3-triazole-5-carbohydrazideRefChem:424699478251-01-3631-824-4AKOS024407608
Database identifiers
- CAS
478251-01-3- PubChem CID
- 9605834
- EC Number
- 631-824-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 799
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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