2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Basic information
- CAS
380582-94-5- Standard SMILES
CCOc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1- InChIKey
VPLILZAADUWWDC-UHFFFAOYSA-N- Molecular formula
- C14H17N5O3S
- Average molar mass
- 335.38 g/mol
- Monoisotopic mass
- 335.10521059
Names & identifiers
- Preferred name
- 2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
- IUPAC
- 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Names & synonyms
380582-94-52-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-ethoxyphenyl)acetamideZINC00392216STK972368AKOS0022383822-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamideST50113302AB00676384-01AF-407/40919045F1847-00412-(4-amino-6-methyl-5-oxo(1,2,4-triazin-3-ylthio))-N-(4-ethoxyphenyl)acetamide
Database identifiers
- CAS
380582-94-5- PubChem CID
- 853536
- EC Number
- 121-237-7
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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