Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012380

Phytochemical name: 1,4-Dinitropiperazine

Synonymous chemical names:
n,n-dinitropiperazine

External chemical identifiers:
CID:CID_20124, ZINC:ZINC000001705641, SureChEMBL:SCHEMBL251934

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Chemical structure information

SMILES:
[O-][N+](=O)N1CCN(CC1)[N+](=O)[O-]

InChI:
InChI=1S/C4H8N4O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H2

InChIKey:
GSUMZAMXDRIYCL-UHFFFAOYSA-N

DeepSMILES:
[O-][N+]=O)NCCNCC6))[N+]=O)[O-]

Functional groups:
CN([N+](=O)[O-])C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CNCCN1

Scaffold Graph/Node level:
C1CNCCN1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazinanes

ClassyFire Subclass: Piperazines

NP-Likeness score: -0.488

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Chemical structure download