Basic information
- Standard SMILES
CCN1C[C@H](C)n2c(c(OC)c3c(=O)[nH]nc(N)c32)C1=O- InChIKey
PGZKORUDHMTEBP-LURJTMIESA-N- Molecular formula
- C13H17N5O3
- Average molar mass
- 291.31 g/mol
- Monoisotopic mass
- 291.13313942
Names & identifiers
- Preferred name
- (6S)-4-Amino-8-ethyl-10-methoxy-6-methyl-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione
- IUPAC
- (13S)-3-amino-11-ethyl-8-methoxy-13-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
Names & synonyms
SCHEMBL3984048PGZKORUDHMTEBP-LURJTMIESA-N(6S)-4-Amino-8-ethyl-10-methoxy-6-methyl-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione
Database identifiers
- PubChem CID
- 68864679
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 508
Related reactions
2 records
Compound notes
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