Basic information
- Standard SMILES
C=CCC(C)(C)C(=O)c1c[nH]c2ncc(Br)nc12- InChIKey
SNGGWVSUVLAHKR-UHFFFAOYSA-N- Molecular formula
- C13H14BrN3O
- Average molar mass
- 308.17 g/mol
Names & identifiers
- Preferred name
- 1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethyl-pent-4-en-1-one
- IUPAC
- 1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpent-4-en-1-one
Names & synonyms
SCHEMBL2274744SNGGWVSUVLAHKR-UHFFFAOYSA-N1-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethyl-pent-4-en-1-one
Database identifiers
- PubChem CID
- 59540958
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Related reactions
2 records
Compound notes
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