6-(4-bromophenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
Basic information
- CAS
461431-55-0- Standard SMILES
Cc1nnc(C)c2c(C)n(-c3ccc(Br)cc3)c(C)c12- InChIKey
GMBUCLWZLPOFGJ-UHFFFAOYSA-N- Molecular formula
- C16H16BrN3
- Average molar mass
- 330.22 g/mol
- Monoisotopic mass
- 329.05276
Names & identifiers
- Preferred name
- 6-(4-bromophenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
- IUPAC
- 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
- English name
- CHEMBRDG-BB 7053494
- Molecular formula
- C16H16BrN3
- Molecular weight
- 330.22
Names & synonyms
461431-55-06-(4-bromophenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazineMFCD032482876-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazineZINC313256MLS000113287HMS2190C03Cambridge id 7053494SCHEMBL8359660CHEMBL1495657DTXSID80355525STK069416
Show more names
CHEMBRDG-BB 70534946H-Pyrrolo[3,4-d]pyridazine, 6-(4-bromophenyl)-1,4,5,7-tetramethyl-6-(4-bromophenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine(SALTDATA: FREE)
ZINC00313256AKOS005389223BS-38054SMR000109190Brc1ccc(cc1)n1c(C)c2c(c1C)c(C)nnc2CZINC000000313256DB-207264CS-0360883
Database identifiers
- CAS
461431-55-0- PubChem CID
- 804479
- DTXSID
DTXSID80355525- ChEMBL
CHEMBL1495657
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…