Basic information
- CAS
7181-34-2- Standard SMILES
Nc1nc(CCN2CCN(c3ccccc3)CC2)nc(Nc2cccc3ccccc23)n1- InChIKey
SXRCWMIXFJREJW-UHFFFAOYSA-N- Molecular formula
- C25H27N7
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.23279389
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, N-1-naphthalenyl-6-(2-(4-phenyl-1-piperazinyl)ethyl)-
- IUPAC
- 2-N-naphthalen-1-yl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
BRN 06314531,3,5-Triazine-2,4-diamine, N-1-naphthalenyl-6-(2-(4-phenyl-1-piperazinyl)ethyl)-7181-34-2DTXSID70222095N-1-Naphthalenyl-6-(2-(4-phenyl-1-piperazinyl)ethyl)-1,3,5-triazine-2,4-diamineRefChem:217402DTXCID70144586N~2~-(Naphthalen-1-yl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
7181-34-2- PubChem CID
- 201963
- DTXSID
DTXSID70222095
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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