Basic information
- CAS
104149-52-2- Standard SMILES
O=c1[nH]c2nccnc2n2cccc12- InChIKey
LLTWBHMKJKTMQK-UHFFFAOYSA-N- Molecular formula
- C9H6N4O
- Average molar mass
- 186.17 g/mol
- Monoisotopic mass
- 186.05416083
Names & identifiers
- Preferred name
- Pyrazino[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-one
- IUPAC
- 2,8,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-7-one
Names & synonyms
Pyrazino[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-oneSCHEMBL8566784DTXSID101247739104149-52-2
Database identifiers
- CAS
104149-52-2- PubChem CID
- 13468528
- DTXSID
DTXSID101247739
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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