6-Phenyl-1,3,5-triazine-2,4(1H,3H)-dione
Basic information
- CAS
7459-63-4- Standard SMILES
O=c1nc(-c2ccccc2)[nH]c(=O)[nH]1- InChIKey
KGKPZSCTAFFXBV-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.05382648
Names & identifiers
- Preferred name
- 6-Phenyl-1,3,5-triazine-2,4(1H,3H)-dione
- IUPAC
- 6-phenyl-1H-1,3,5-triazine-2,4-dione
- English name
- 6-Phenyl-1,3,5-triazine-2,4-diol
- Molecular formula
- C9H7N3O2
- Molecular weight
- 189.17
Names & synonyms
7459-63-46-Phenyl-1,3,5-triazine-2,4(1H,3H)-dioneDTXSID30225562RefChem:1074129DTXCID60148053231-236-46-phenyl-1H-1,3,5-triazine-2,4-dioneEINECS 231-236-4Triazine-2,4-dihydroxy, 6-phenyl-6-phenyl-5-azauracilSCHEMBL1534218SCHEMBL10412916
Show more names
6-PHENYL-TRIAZINE-2,4-DIHYDROXY6-phenyl-1,3,5-triazine-2,4-diol2,4-DIHYDROXY-6-PHENYL-1,3,5-TRIAZINE1,3,5-TRIAZINE-2,4-DIHYDROXY, 6-PHENYL-1,3,5-Triazine-2,4(1H,3H)-dione, 6-phenyl-Triazine-2,4-dihydroxy, 6-phenyl-, CAS 7459-63-4
KGKPZSCTAFFXBV-UHFFFAOYSA-N2-phenyl-4,6-dihydroxy-s-triazineAKOS006343510AKOS0159640106-phenyl-1,3,5-triazine-2,4-dioneAC-22502NS000376346-phenyl-1,3,5-triazin-2,4[1H,3H]-dione
Database identifiers
- CAS
7459-63-4- PubChem CID
- 24036
- DTXSID
DTXSID30225562- EC Number
- 231-236-4
- Nikkaji
- J278.860H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 283 · 283-284 °C
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 5.7 · 5.70±0.70(Predicted)
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