1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-
Basic information
- CAS
83809-87-4- Standard SMILES
O=c1c([N+](=O)[O-])nnc2nc[nH]n12- InChIKey
PJWJEUJIMJNSEA-UHFFFAOYSA-N- Molecular formula
- C4H2N6O3
- Average molar mass
- 182.1 g/mol
- Monoisotopic mass
- 182.01883795
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-
- IUPAC
- 3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
Names & synonyms
83809-87-41,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-RefChem:2152723-Nitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one3-nitro[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-oneSR-010005001723-Nitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-ol3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-oneDTXSID201003883STL298140AKOS001678520SDCCGSBI-0658274.P001
Show more names
123606-10-0SR-01000500172-13-Nitro[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(6H)-one
Database identifiers
- CAS
83809-87-4- PubChem CID
- 145018
- DTXSID
DTXSID201003883
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 376
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Related reactions
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Compound notes
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