4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Basic information
- CAS
52883-26-8- Standard SMILES
CCc1n[nH]c(=O)n1CC- InChIKey
UEUMMYRZUZKMRI-UHFFFAOYSA-N- Molecular formula
- C6H11N3O
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.09021198
Names & identifiers
- Preferred name
- 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 3,4-diethyl-1H-1,2,4-triazol-5-one
- English name
- 4,5-Diethyl-2,4-dihydro 1,2,4-triazol-3 one
- Molecular formula
- C6H11N3O
- Molecular weight
- 141.17
Names & synonyms
52883-26-84,5-Diethyl-2,4-dihydro-3H-1,2,4-triazol-3-oneEINECS 258-233-0DTXSID40200921RefChem:96461DTXCID70123412258-233-03,4-diethyl-4,5-dihydro-1H-1,2,4-triazol-5-one3,4-diethyl-1H-1,2,4-triazol-5-one3,4-Diethyl-1H-1,2,4-triazol-5(4H)-oneNSC6808594,5-Diethyl-2,4-dihydro-1,2,4-triazol-3-one
Show more names
4,5-Diethyl-2,4-dihydro 1,2,4-triazol-3 one4,5-DIETHYL-2,4-DIHYDRO-1,2,4-TRIAZOL-3(2H)-ONE3H-1,2,4-Triazol-3-one, 4,5-diethyl-2,4-dihydro-
3H-1,2,4-Triazol-3-one,4,5-diethyl-2,4-dihydro-SCHEMBL8604420CHEMBL1976847UEUMMYRZUZKMRI-UHFFFAOYSA-NCCA88326AKOS006277331NSC-680859NCI60_028852
Database identifiers
- CAS
52883-26-8- PubChem CID
- 104346
- DTXSID
DTXSID40200921- ChEMBL
CHEMBL1976847- EC Number
- 258-233-0
- Nikkaji
- J295.823F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- solubility
- Dichloromethane
- form
- Solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDisplays antibacterial activity.
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Compound notes
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