1H-(1,2,4)Triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-2-(3-bromophenyl)-
Basic information
- CAS
58744-49-3- Standard SMILES
O=c1n(-c2cccc(Br)c2)c(=O)n2n1CCCC2- InChIKey
MLBWFVBNYIUZBV-UHFFFAOYSA-N- Molecular formula
- C12H12BrN3O2
- Average molar mass
- 310.15 g/mol
- Monoisotopic mass
- 309.01129
Names & identifiers
- Preferred name
- 1H-(1,2,4)Triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-2-(3-bromophenyl)-
- IUPAC
- 2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
Names & synonyms
58744-49-31H-(1,2,4)Triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-2-(3-bromophenyl)-2-(3-Bromophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dioneSCHEMBL11359150DTXSID20207453
Database identifiers
- CAS
58744-49-3- PubChem CID
- 186715
- DTXSID
DTXSID20207453
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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