Basic information
- CAS
34314-69-7- Standard SMILES
O=C1C2N=NNC2C(=O)N1c1ccccc1- InChIKey
QYDOPKVSRXHOGO-UHFFFAOYSA-N- Molecular formula
- C10H8N4O2
- Average molar mass
- 216.2 g/mol
- Monoisotopic mass
- 216.06472551
Names & identifiers
- Preferred name
- 5-Phenyl-3a,6a-dihydropyrrolo(3,4-d)(1,2,3)triazole-4,6(1H,5H)-dione
- IUPAC
- 5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-d]triazole-4,6-dione
Names & synonyms
34314-69-75-Phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dioneNSC 163020DTXSID209558665-Phenyl-3a,6a-dihydropyrrolo(3,4-d)(1,2,3)triazole-4,6(1H,5H)-dioneRefChem:304661DTXCID301383848NSC1630205-Phenyl-1,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(3aH,5H)-dione5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-d]triazole-4,6-dioneNSC-163020
Database identifiers
- CAS
34314-69-7- PubChem CID
- 294471
- DTXSID
DTXSID20955866
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…