Basic information
- CAS
329922-47-6- Standard SMILES
Nc1nonc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
OXYNDQGVKMEFCD-UHFFFAOYSA-N- Molecular formula
- C13H14N6O4
- Average molar mass
- 318.29 g/mol
- Monoisotopic mass
- 318.10765295
Names & identifiers
- Preferred name
- (4-Amino-1,2,5-oxadiazol-3-yl)[4-(4-nitrophenyl)-1-piperazinyl]methanone
- IUPAC
- (4-amino-1,2,5-oxadiazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
Names & synonyms
329922-47-6(4-Amino-1,2,5-oxadiazol-3-yl)[4-(4-nitrophenyl)-1-piperazinyl]methanone(4-Amino-1,2,5-oxadiazol-3-yl)(4-(4-nitrophenyl)-1-piperazinyl)methanoneRefChem:208533(4-amino-1,2,5-oxadiazol-3-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanoneOprea1_052895DTXSID901150560STK099360(4-amino-1,2,5-oxadiazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanoneAKOS000294297ST006476SR-01000117886
Show more names
SR-01000117886-14-amino(1,2,5-oxadiazol-3-yl) 4-(4-nitrophenyl)piperazinyl ketone4-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}-1,2,5-oxadiazol-3-amine
Database identifiers
- CAS
329922-47-6- PubChem CID
- 3116830
- DTXSID
DTXSID901150560
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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