[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-
Basic information
- CAS
116061-62-2- Standard SMILES
Cn1nc([N+](=O)[O-])c(=O)n2ncnc12- InChIKey
BCKMMROKSGOWJG-UHFFFAOYSA-N- Molecular formula
- C5H4N6O3
- Average molar mass
- 196.12 g/mol
- Monoisotopic mass
- 196.03448801
Names & identifiers
- Preferred name
- [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-
- IUPAC
- 1-methyl-3-nitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
Names & synonyms
116061-62-21-Methyl-3-nitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one1-methyl-3-nitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one1-Methyl-3-nitro[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-DTXSID60336599BCKMMROKSGOWJG-UHFFFAOYSA-NSTK760993AKOS001752193ST45380555SR-01000525937SR-01000525937-1
Show more names
1-Methyl-3-nitro[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one #4-Methyl-6-nitro-7-oxo-4,7-dihydro-1,2,4-triazolo[5,1-c][1,2,4]triazine
Database identifiers
- CAS
116061-62-2- PubChem CID
- 534894
- DTXSID
DTXSID60336599
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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