Piperazine, 1-methyl-4-(2-(5-nitro-1H-imidazol-1-yl)ethyl)-
Basic information
- CAS
74571-56-5- Standard SMILES
CN1CCN(CCn2cncc2[N+](=O)[O-])CC1- InChIKey
CGQVBJOXPFPXIU-UHFFFAOYSA-N- Molecular formula
- C10H17N5O2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.1382248
Names & identifiers
- Preferred name
- Piperazine, 1-methyl-4-(2-(5-nitro-1H-imidazol-1-yl)ethyl)-
- IUPAC
- 1-methyl-4-[2-(5-nitroimidazol-1-yl)ethyl]piperazine
Names & synonyms
Piperazine, 1-methyl-4-(2-(5-nitro-1H-imidazol-1-yl)ethyl)-74571-56-5DTXSID802255571-methyl-4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]piperazine
Database identifiers
- CAS
74571-56-5- PubChem CID
- 94677
- DTXSID
DTXSID80225557- Nikkaji
- J1.586.777I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
LogP-0.2
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Compound notes
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