6-{2-[(1e)-3,3-Dipropyltriaz-1-en-1-yl]phenyl}-1,3,5-triazine-2,4-diamine
Basic information
- CAS
52745-16-1- Standard SMILES
CCCN(CCC)N=Nc1ccccc1-c1nc(N)nc(N)n1- InChIKey
WPCYENDTHJBLQV-UHFFFAOYSA-N- Molecular formula
- C15H22N8
- Average molar mass
- 314.39 g/mol
- Monoisotopic mass
- 314.19674274
Names & identifiers
- Preferred name
- 6-{2-[(1e)-3,3-Dipropyltriaz-1-en-1-yl]phenyl}-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-[2-[(dipropylamino)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
52745-16-16-{2-[(1e)-3,3-dipropyltriaz-1-en-1-yl]phenyl}-1,3,5-triazine-2,4-diamineNSC163419DTXSID00303907NSC-163419
Database identifiers
- CAS
52745-16-1- PubChem CID
- 294598
- DTXSID
DTXSID00303907
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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