Basic information
- CAS
62758-20-7- Standard SMILES
Cn1c(=O)c2c(nnc[n+]2[O-])n(C)c1=O- InChIKey
ILRIXBZJZVBWKD-UHFFFAOYSA-N- Molecular formula
- C7H7N5O3
- Average molar mass
- 209.16 g/mol
- Monoisotopic mass
- 209.0548891
Names & identifiers
- Preferred name
- Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-, 4-oxide
- IUPAC
- 6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Names & synonyms
Fervenulin-4-oxide62758-20-7BRN 1220136Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-, 4-oxideDTXSID30211829RefChem:377797DTXCID10134320ILRIXBZJZVBWKD-UHFFFAOYSA-N6,8-Dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[5,4-e][1,2,4]triazine 4-oxide5,6,7,8-Tetrahydro-6,8-dimethyl-5,7-dioxopyrimido-[5,4-e]-1,2,4-triazine-4-oxide6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione6,8-Dimethylpyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione-4-oxide
Show more names
AKOS0252133836,8-Dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
Database identifiers
- CAS
62758-20-7- PubChem CID
- 536014
- DTXSID
DTXSID30211829
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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