1-[3-Cyclopropyl-5-(4-nitrophenyl)triazol-4-yl]piperidine
Basic information
- CAS
80212-88-0- Standard SMILES
O=[N+]([O-])c1ccc(-c2nnn(C3CC3)c2N2CCCCC2)cc1- InChIKey
XXQQVQAGAXQBAY-UHFFFAOYSA-N- Molecular formula
- C16H19N5O2
- Average molar mass
- 313.35 g/mol
- Monoisotopic mass
- 313.15387487
Names & identifiers
- Preferred name
- 1-[3-Cyclopropyl-5-(4-nitrophenyl)triazol-4-yl]piperidine
- IUPAC
- 1-[3-cyclopropyl-5-(4-nitrophenyl)triazol-4-yl]piperidine
Names & synonyms
80212-88-01-[3-cyclopropyl-5-(4-nitrophenyl)triazol-4-yl]piperidineNSC356484DTXSID70320222NSC-3564841-[1-Cyclopropyl-4-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]piperidine
Database identifiers
- CAS
80212-88-0- PubChem CID
- 337661
- DTXSID
DTXSID70320222
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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