Basic information
- CAS
20964-55-0- Standard SMILES
O=c1nc(Nc2ccccc2)[nH]c(=O)[nH]1- InChIKey
VUIKYRBPWMVBKY-UHFFFAOYSA-N- Molecular formula
- C9H8N4O2
- Average molar mass
- 204.19 g/mol
- Monoisotopic mass
- 204.06472551
Names & identifiers
- Preferred name
- 6-(Phenylamino)-1,3,5-triazine-2,4(1H,3H)-dione
- IUPAC
- 6-anilino-1H-1,3,5-triazine-2,4-dione
Names & synonyms
20964-55-06-(Phenylamino)-1,3,5-triazine-2,4(1H,3H)-dione6-anilino-1H-1,3,5-triazine-2,4-dioneNSC5142376-Anilino-1,3,5-triazine-2,4(1H,3H)-dioneTimTec1_004765Oprea1_153081SCHEMBL1151708DTXSID50274895VUIKYRBPWMVBKY-UHFFFAOYSA-NHMS1547I136-(phenylamino)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione
Show more names
6-anilino-1,3,5-triazine-2,4-diolNSC-514237CS-0059217AN-038/13656010SR-010005305626-Anilino-1,3,5-triazine-2,4(1H,3H)-dione #SR-01000530562-11,3,5-Triazine-2,4(3H,5H)-dione, 6-phenylamino-
Database identifiers
- CAS
20964-55-0- PubChem CID
- 30399
- DTXSID
DTXSID50274895- Nikkaji
- J1.609.115D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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