2-(2-(Hydroxy(oxido)amino)phenyl)-5,7-di(4-morpholinyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazine
Basic information
- CAS
91892-61-4- Standard SMILES
O=[N+]([O-])c1ccccc1-c1nc2nc(N3CCOCC3)nc(N3CCOCC3)n2n1- InChIKey
MASNCWTVNLAGDX-UHFFFAOYSA-N- Molecular formula
- C18H20N8O4
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.16075115
Names & identifiers
- Preferred name
- 2-(2-(Hydroxy(oxido)amino)phenyl)-5,7-di(4-morpholinyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazine
- IUPAC
- 4-[7-morpholin-4-yl-2-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]morpholine
Names & synonyms
91892-61-42-(2-(Hydroxy(oxido)amino)phenyl)-5,7-di(4-morpholinyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazineNSC319953NSC 3199532-(2-(Hydroxy(oxido)amino)phenyl)-5,7-di(4-morpholinyl)[1,2,4]triazolo[1,5-a][1,3,5]triazineDTXSID70238732NSC-3199534-[7-morpholino-2-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]morpholine5,7-Bis(morpholin-4-yl)-2-(2-nitrophenyl)[1,2,4]triazolo[1,5-a][1,3,5]triazine
Database identifiers
- CAS
91892-61-4- PubChem CID
- 330716
- DTXSID
DTXSID70238732
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…