1-{1-[(Furan-2-yl)methyl]-4-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl}piperidine
Basic information
- CAS
80212-93-7- Standard SMILES
O=[N+]([O-])c1ccc(-c2nnn(Cc3ccco3)c2N2CCCCC2)cc1- InChIKey
RSDAYTOQBGURIL-UHFFFAOYSA-N- Molecular formula
- C18H19N5O3
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.14878949
Names & identifiers
- Preferred name
- 1-{1-[(Furan-2-yl)methyl]-4-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl}piperidine
- IUPAC
- 1-[3-(furan-2-ylmethyl)-5-(4-nitrophenyl)triazol-4-yl]piperidine
Names & synonyms
80212-93-7NSC356485DTXSID30320223NSC-3564851-{1-[(Furan-2-yl)methyl]-4-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl}piperidine
Database identifiers
- CAS
80212-93-7- PubChem CID
- 337662
- DTXSID
DTXSID30320223
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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