2-Cyano-1,4,5,6-tetrahydropyrazine methanesulfonic acid salt
Basic information
- Standard SMILES
CS(=O)(=O)O.N#CC1=CNCCN1- InChIKey
CHMRVEJZTXECRO-UHFFFAOYSA-N- Molecular formula
- C6H11N3O3S
- Average molar mass
- 205.24 g/mol
- Monoisotopic mass
- 205.05211239
Names & identifiers
- Preferred name
- 2-Cyano-1,4,5,6-tetrahydropyrazine methanesulfonic acid salt
- IUPAC
- methanesulfonic acid;1,2,3,4-tetrahydropyrazine-5-carbonitrile
Names & synonyms
SCHEMBL8418139CHMRVEJZTXECRO-UHFFFAOYSA-N2-cyano-1,4,5,6-tetrahydropyrazine methanesulfonic acid salt
Database identifiers
- PubChem CID
- 85705828
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 243
Related reactions
1 records
Compound notes
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