Basic information
- CAS
53114-49-1- Standard SMILES
O=C1c2cn[nH]c2C(=O)N1c1ccccc1- InChIKey
NAQDVSGZMFJLRO-UHFFFAOYSA-N- Molecular formula
- C11H7N3O2
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.05382648
Names & identifiers
- Preferred name
- 5-Phenylpyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
- IUPAC
- 5-phenyl-1H-pyrrolo[3,4-d]pyrazole-4,6-dione
Names & synonyms
53114-49-15-Phenylpyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dioneDTXSID00495311
Database identifiers
- CAS
53114-49-1- PubChem CID
- 12378883
- DTXSID
DTXSID00495311
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…