3-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
Basic information
- CAS
474333-45-4- Standard SMILES
Nc1nc(N)nc(-c2cccc(O)c2)n1- InChIKey
NWLBUVXNJRXJFV-UHFFFAOYSA-N- Molecular formula
- C9H9N5O
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.08070993
Names & identifiers
- Preferred name
- 3-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
- IUPAC
- 3-(4,6-diamino-1,3,5-triazin-2-yl)phenol
Names & synonyms
474333-45-43-(4,6-Diamino-1,3,5-triazin-2-yl)phenolPhenol, 3-(4,6-diamino-1,3,5-triazin-2-yl)-SCHEMBL27595066DTXSID00785269
Database identifiers
- CAS
474333-45-4- PubChem CID
- 71361602
- DTXSID
DTXSID00785269- Nikkaji
- J1.800.394E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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