4-(3-Nitropyrazin-2-yl)piperazin-2-one

HCID 13748629
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Basic information

CAS
106797-96-0
Standard SMILES
O=C1CN(c2nccnc2[N+](=O)[O-])CCN1
InChIKey
YDBPVHPDZIBURF-UHFFFAOYSA-N
Molecular formula
C8H9N5O3
Average molar mass
223.19 g/mol
Monoisotopic mass
223.07053915

Names & identifiers

Preferred name
4-(3-Nitropyrazin-2-yl)piperazin-2-one
IUPAC
4-(3-nitropyrazin-2-yl)piperazin-2-one

Names & synonyms

4-(3-Nitropyrazin-2-yl)piperazin-2-one106797-96-0SCHEMBL10512926DTXSID20548313YDBPVHPDZIBURF-UHFFFAOYSA-N1-(3-Nitro-2-pyrazinyl)piperazin-3-oneDA-20102

Database identifiers

CAS
106797-96-0
PubChem CID
13748629
DTXSID
DTXSID20548313

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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