Basic information
- CAS
81450-34-2- Standard SMILES
Cc1nnc2c3nccnc3c(Cl)nn12- InChIKey
PVNJJNPAXYTAPB-UHFFFAOYSA-N- Molecular formula
- C8H5ClN6
- Average molar mass
- 220.62 g/mol
- Monoisotopic mass
- 220.0264219
Names & identifiers
- Preferred name
- 6-Chloro-3-methylpyrazino(2,3-d)(1,2,4)triazolo(4,3-b)pyridazine
- IUPAC
- 8-chloro-5-methyl-3,4,6,7,10,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene
Names & synonyms
81450-34-26-Chloro-3-methylpyrazino(2,3-d)(1,2,4)triazolo(4,3-b)pyridazineNSC366750NSC 366750NSC-3667506-Chloro-3-methylpyrazino[2,3-d][1,2,4]triazolo[4,3-b]pyridazineBPU4G6A7TUDTXSID402311146-chloro-3-methyl-[1,2,4]triazolo[[?]]pyrazino[[?]]pyridazinePyrazino[2,3-d]-1,2,4-triazolo[4,3-b]pyridazine, 6-chloro-3-methyl-8-chloro-5-methyl-3,4,6,7,10,13-hexaazatricyclo[7.4.0.0{2,6}]trideca-1(9),2,4,7,10,12-hexaene
Database identifiers
- CAS
81450-34-2- PubChem CID
- 339564
- DTXSID
DTXSID40231114- UNII
- BPU4G6A7TU
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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