6-{2-[(E)-(Pyrrolidin-1-yl)diazenyl]phenyl}-1,3,5-triazine-2,4-diamine
Basic information
- CAS
52745-12-7- Standard SMILES
Nc1nc(N)nc(-c2ccccc2N=NN2CCCC2)n1- InChIKey
WFPXIUJFJQUVNS-UHFFFAOYSA-N- Molecular formula
- C13H16N8
- Average molar mass
- 284.32 g/mol
- Monoisotopic mass
- 284.14979254
Names & identifiers
- Preferred name
- 6-{2-[(E)-(Pyrrolidin-1-yl)diazenyl]phenyl}-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-[2-(pyrrolidin-1-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
52745-12-7NSC163415DTXSID503298346-{2-[(E)-(Pyrrolidin-1-yl)diazenyl]phenyl}-1,3,5-triazine-2,4-diamineNSC-163415
Database identifiers
- CAS
52745-12-7- PubChem CID
- 424327
- DTXSID
DTXSID50329834
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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