4-[[5-Morpholin-4-yl-1-(4-nitrophenyl)-4,5-dihydrotriazol-4-yl]methyl]morpholine
Basic information
- CAS
74072-98-3- Standard SMILES
O=[N+]([O-])c1ccc(N2N=NC(CN3CCOCC3)C2N2CCOCC2)cc1- InChIKey
VBJOJOJOHCKBLS-UHFFFAOYSA-N- Molecular formula
- C17H24N6O4
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.18590327
Names & identifiers
- Preferred name
- 4-[[5-Morpholin-4-yl-1-(4-nitrophenyl)-4,5-dihydrotriazol-4-yl]methyl]morpholine
- IUPAC
- 4-[[5-morpholin-4-yl-1-(4-nitrophenyl)-4,5-dihydrotriazol-4-yl]methyl]morpholine
Names & synonyms
74072-98-3NSC3638234-[[5-morpholin-4-yl-1-(4-nitrophenyl)-4,5-dihydrotriazol-4-yl]methyl]morpholineSCHEMBL15340893DTXSID80320713NSC-363823DS-0001294-{4-[(Morpholin-4-yl)methyl]-1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazol-5-yl}morpholineMORPHOLINE,4-[4,5-DIHYDRO-4-(4-MORPHOLINYLMETHYL)-1-(4-NITROPHENYL)-1H-1,2,3-TRIAZOL-5-YL]-(9CI)
Database identifiers
- CAS
74072-98-3- PubChem CID
- 338952
- DTXSID
DTXSID80320713
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
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Related reactions
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Compound notes
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