2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-isopropylphenyl)acetamide
Basic information
- CAS
579443-87-1- Standard SMILES
CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cnccn1- InChIKey
UNKBYNDURXONGV-UHFFFAOYSA-N- Molecular formula
- C19H22N6OS
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.15758052
Names & identifiers
- Preferred name
- 2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-isopropylphenyl)acetamide
- IUPAC
- 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
Names & synonyms
579443-87-12-{[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2-ISOPROPYLPHENYL)ACETAMIDE2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-isopropylphenyl)acetamideRefChem:449124644-179-92-((4-Ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamideAKOS002188220ST500812202-(4-ethyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio))-N-[2-(methylethyl)phenyl]ac etamide
Database identifiers
- CAS
579443-87-1- PubChem CID
- 1994983
- EC Number
- 644-179-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 479
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)
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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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