Basic information
- Standard SMILES
NC1CCCC(NC(=O)c2c[nH]c3ncc(Br)nc23)C1- InChIKey
YLDABJDORVBIPV-UHFFFAOYSA-N- Molecular formula
- C13H16BrN5O
- Average molar mass
- 338.2 g/mol
Names & identifiers
- Preferred name
- N-(3-aminocyclohexyl)-2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
- IUPAC
- N-(3-aminocyclohexyl)-2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14738086YLDABJDORVBIPV-UHFFFAOYSA-NN-(3-aminocyclohexyl)-2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Database identifiers
- PubChem CID
- 86678005
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
1 records
Compound notes
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