Basic information
- CAS
117776-80-4- Standard SMILES
COC(=O)CNC(=O)c1nccnc1N- InChIKey
PDEJRXVDOINCET-UHFFFAOYSA-N- Molecular formula
- C8H10N4O3
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.07529019
Names & identifiers
- Preferred name
- Glycine, N-[(3-aminopyrazinyl)carbonyl]-, methyl ester
- IUPAC
- methyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
Names & synonyms
117776-80-4CHEMBL5023564Glycine, N-[(3-aminopyrazinyl)carbonyl]-, methyl esterDTXSID301209187AKOS022650024Methyl N-(3-aminopyrazine-2-carbonyl)glycinateZ225301984
Database identifiers
- CAS
117776-80-4- PubChem CID
- 14101220
- DTXSID
DTXSID301209187- ChEMBL
CHEMBL5023564
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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