Basic information
- CAS
93167-96-5- Standard SMILES
Nc1nc(N)nc(Nc2ccc(Br)cc2)n1- InChIKey
QYMIMKUTERILBS-UHFFFAOYSA-N- Molecular formula
- C9H9BrN6
- Average molar mass
- 281.11 g/mol
- Monoisotopic mass
- 280.00721
Names & identifiers
- Preferred name
- N~2~-(4-Bromophenyl)-1,3,5-triazine-2,4,6-triamine
- IUPAC
- 2-N-(4-bromophenyl)-1,3,5-triazine-2,4,6-triamine
Names & synonyms
93167-96-5NSC67243SCHEMBL2454054N~2~-(4-Bromophenyl)-1,3,5-triazine-2,4,6-triamineDTXSID00290181NSC-67243DS-011952AE-484/32867048N2-(4-bromophenyl)-1,3,5-triazine-2,4,6-triamine4-amino-6-(4-bromoanilino)-1,3,5-triazin-2-ylamine
Database identifiers
- CAS
93167-96-5- PubChem CID
- 249189
- DTXSID
DTXSID00290181
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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