chempirical

4-Nitro-7-(1-piperazinyl)-2,1,3-benzoxadiazole

C10H11N5O3CAS 139332-66-4249.23 g/mol

Open in Covalent MOL file
NHNNONN+OO−
NitroSecondary amineTertiary amine

Properties

Molecular formula
C10H11N5O3
Molar mass
249.23 g/mol
Exact mass
249.0862 Da
logP
0.54Crippen estimate
Polar surface area
97.3 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
139332-66-4
SMILES
C1CN(CCN1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
InChIKey
MVLWYDGJBGPXOL-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N5O3/c16-15(17)8-2-1-7(9-10(8)13-18-12-9)14-5-3-11-4-6-14/h1-2,11H,3-6H2

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Names and synonyms

1 names
  • 4-Nitro-7-piperazino-2,1,3-benzoxadiazole

Work with 4-Nitro-7-(1-piperazinyl)-2,1,3-benzoxadiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2-Nitrophenyl)piperazine59084-06-957 % similar NBD-Cl10199-89-051 % similar 7-Fluoro-4-nitrobenzo-2-oxa-1,3-diazole29270-56-251 % similar N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine58315-38-151 % similar 7-Benzylamino-4-nitro-2,1,3-benzoxadiazole18378-20-648 % similar 1-(2-Chloro-4-nitrophenyl)piperazine114878-60-348 % similar 1-(2-Fluoro-4-nitrophenyl)piperazine154590-33-748 % similar 1-(4-Nitrophenyl)piperazine6269-89-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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