Basic information
- CAS
21868-48-4- Standard SMILES
Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(N2CCN(c3ccccc3)CC2)n1- InChIKey
ZYTHBHZBUCNDSO-UHFFFAOYSA-N- Molecular formula
- C25H32N8
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.27499305
Names & identifiers
- Preferred name
- s-Triazine, 2-amino-4-((4-benzyl-1-piperazinyl)methyl)-6-(4-phenyl-1-piperazinyl)-
- IUPAC
- 4-[(4-benzylpiperazin-1-yl)methyl]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
Names & synonyms
BRN 0733064s-Triazine, 2-amino-4-((4-benzyl-1-piperazinyl)methyl)-6-(4-phenyl-1-piperazinyl)-DTXSID4017627321868-48-42-Amino-4-((4-benzyl-1-piperazinyl)methyl)-6-(4-phenyl-1-piperazinyl)-s-triazine5-26-09-00263 (Beilstein Handbook Reference)RefChem:379668DTXCID00987644-[(4-benzylpiperazin-1-yl)methyl]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
Database identifiers
- CAS
21868-48-4- PubChem CID
- 210899
- DTXSID
DTXSID40176273
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…