5'-Bromo-3,6-dimethyl-4H-[1,4'-bipyridazin]-6'(1'H)-one
Basic information
- CAS
6953-93-1- Standard SMILES
CC1=CCC(C)=NN1c1cn[nH]c(=O)c1Br- InChIKey
PGDCLPXUOQJLLX-UHFFFAOYSA-N- Molecular formula
- C10H11BrN4O
- Average molar mass
- 283.12 g/mol
- Monoisotopic mass
- 282.01162
Names & identifiers
- Preferred name
- 5'-Bromo-3,6-dimethyl-4H-[1,4'-bipyridazin]-6'(1'H)-one
- IUPAC
- 5-bromo-4-(3,6-dimethyl-4H-pyridazin-1-yl)-1H-pyridazin-6-one
Names & synonyms
6953-93-15'-Bromo-3,6-dimethyl-4H-[1,4'-bipyridazin]-6'(1'H)-oneNSC69011DTXSID20989505NSC-690115'-Bromo-3,6-dimethyl-4H-[1,4'-bipyridazin]-6'-ol
Database identifiers
- CAS
6953-93-1- PubChem CID
- 250023
- DTXSID
DTXSID20989505
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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