5-Nitro-3-(piperazin-1-yl)-1H-indazole
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Basic information
- CAS
167874-90-0- Standard SMILES
O=[N+]([O-])c1ccc2[nH]nc(N3CCNCC3)c2c1- InChIKey
GLTHCKMBVOYIIY-UHFFFAOYSA-N- Molecular formula
- C11H13N5O2
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.10692467
Names & identifiers
- Preferred name
- 5-Nitro-3-(piperazin-1-yl)-1H-indazole
- IUPAC
- 5-nitro-3-piperazin-1-yl-1H-indazole
- English name
- 5-Nitro-3-(piperazin-1-yl)-1H-indazole
- Molecular formula
- C11H13N5O2
- Molecular weight
- 247.25
Names & synonyms
5-Nitro-3-(piperazin-1-yl)-1H-indazole167874-90-05-nitro-3-piperazin-1-yl-1H-indazoleDTXSID70857649DB-3687711H-Indazole, 5-nitro-3-(1-piperazinyl)-
Database identifiers
- CAS
167874-90-0- PubChem CID
- 71748554
- DTXSID
DTXSID70857649- Nikkaji
- J663.489C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 520.9 · 520.9±40.0 °C(Predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.19 · 13.19±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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