Basic information
- Standard SMILES
COC(=O)/C=C/c1cnc(N[C@@H]2CCNC2)cn1.Cl.Cl- InChIKey
MOENJEPARLYPQE-WRXZAYCQSA-N- Molecular formula
- C12H18Cl2N4O2
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.0806812
Names & identifiers
- Preferred name
- methyl (2E)-3-{5-[(3R)-3-pyrrolidinylamino]-2-pyrazinyl)acrylate dihydrochloride
- IUPAC
- methyl (E)-3-[5-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enoate;dihydrochloride
Names & synonyms
methyl (2E)-3-{5-[(3R)-3-pyrrolidinylamino]-2-pyrazinyl)acrylate dihydrochloridemethyl (2E)-3-{5-[(3R)-3-pyrrolidinylamino]-2-pyrazinyl}acrylate dihydrochlorideSCHEMBL1708411MOENJEPARLYPQE-WRXZAYCQSA-N
Database identifiers
- PubChem CID
- 67129309
Properties
Computed structural properties
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Related reactions
7 records
Compound notes
Loading…