Basic information
- Standard SMILES
O=c1n(O)c(=O)n(O)c(=O)n1O- InChIKey
NBIJDQIBCRZHFK-UHFFFAOYSA-N- Molecular formula
- C3H3N3O6
- Average molar mass
- 177.07 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3,5-Trihydroxy-1,3,5-triazinane-2,4,6-trione
- IUPAC
- 1,3,5-trihydroxy-1,3,5-triazinane-2,4,6-trione
Names & synonyms
1,3,5-trihydroxy-1,3,5-triazinane-2,4,6-trione3HOTTORefChem:906826143435-52-3N N' N -TRIHYDROXYISOCYANURIC ACID1,3,5-Trihydroxyhexahydro-1,3,5-triazine-2,4,6-trioneMFCD06411330TRIHYDROXY-1,3,5-TRIAZINANE-2,4,6-TRIONESCHEMBL43955C3H3N3O6hexahydro-1,3,5-trihydroxy-1,3,5-triazine-2,4,6-trioneNBIJDQIBCRZHFK-UHFFFAOYSA-N
Show more names
1,3,5-trihy-droxyisocyanuric acid1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trihydroxy-TFA43552LT0053AKOS015913605AS-76157DA-30298CS-0446519
Database identifiers
- PubChem CID
- 10419723
- Nikkaji
- J1.745.792F
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Related reactions
32 records
Linked notes
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