Basic information
- CAS
79751-02-3- Standard SMILES
O=C1CN2CCN3CC(=O)NC(=O)[C@H]3[C@@H]2C(=O)N1- InChIKey
CLECXPZAFASKTB-HTQZYQBOSA-N- Molecular formula
- C10H12N4O4
- Average molar mass
- 252.23 g/mol
- Monoisotopic mass
- 252.08585488
Names & identifiers
- Preferred name
- CID 339586
- IUPAC
- (1R,2R)-4,7,10,13-tetrazatricyclo[8.4.0.02,7]tetradecane-3,5,12,14-tetrone
Names & synonyms
NSC36687979751-02-3DTXSID20320939NSC-366879(12aR,12bR)-Tetrahydrodipyrazino[1,2-a:2',1'-c]pyrazine-1,3,10,12(2H,4H,9H,11H)-tetrone
Database identifiers
- CAS
79751-02-3- PubChem CID
- 339586
- DTXSID
DTXSID20320939
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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