5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide
Basic information
- CAS
59118-15-9- Standard SMILES
CC1(C)OC(C)(C)c2c1nnc(-c1cccc([N+](=O)[O-])c1)[n+]2[O-]- InChIKey
RXJWBJGNIOZICN-UHFFFAOYSA-N- Molecular formula
- C15H16N4O4
- Average molar mass
- 316.31 g/mol
- Monoisotopic mass
- 316.117155
Overview
potent sedative-hypnotic; structure in first source
Names & identifiers
- Preferred name
- 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide
- IUPAC
- 5,5,7,7-tetramethyl-3-(3-nitrophenyl)-4-oxidofuro[3,4-e][1,2,4]triazin-4-ium
- English name
- 5,7-dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide
- Molecular formula
- C15H16N4O4
- Molecular weight
- 316.31
Names & synonyms
59118-15-9PW7NL3EXP35,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxideDTXSID80207858Dhtm-npftoFuro(3,4-e)-1,2,4-triazine, 5,7-dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)-, 4-oxideRefChem:912988DTXCID30130349NSC-341197CHEMBL146127SCHEMBL11692588RXJWBJGNIOZICN-UHFFFAOYSA-N
Show more names
5,5,7,7-tetramethyl-3-(3-nitrophenyl)-4-oxidofuro[3,4-e][1,2,4]triazin-4-ium5,7-DIHYDRO-3-(3-NITRO-PH-)-5,5,7,7-TETRA-ME-FURO(3,4-E)-1,2,4-TRIAZINE-4-OXIDEFuro[3,4-e]-1,2,4-triazine, 5,7-dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)-, 4-oxide
NSC341197AKOS0243240925,7-dihydro-5,5,7,7-tetramethyl-3-(m-nitrophenyl)-furo[3,4-e]-as-triazine-4-oxideDB-2422035,7-DIHYDRO-5,5,7,7-TETRAMETHYL-3-(3-NITROPHENYL)FURO(3,4-E)-AS-TRIAZINE-4-OXIDE5,5,7,7-Tetramethyl-3-(3-nitrophenyl)-4-oxo-5,7-dihydro-4lambda~5~-furo[3,4-e][1,2,4]triazine
Database identifiers
- CAS
59118-15-9- PubChem CID
- 72729
- DTXSID
DTXSID80207858- ChEMBL
CHEMBL146127- UNII
- PW7NL3EXP3
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- FDA UNII
- 7 NL3EXP3 · PW7NL3EXP3
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319-H335-H315
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
1 records
Compound notes
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