1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride

C8H13ClN4O — CID 160614600

IUPAC1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride
SMILESCl.[O-][n+]1ccncc1N1CCNCC1
InChIInChI=1S/C8H12N4O.ClH/c13-12-6-3-10-7-8(12)11-4-1-9-2-5-11;/h3,6-7,9H,1-2,4-5H2;1H
InChIKeyRFXSVMNRWRMEHA-UHFFFAOYSA-N
MW216.67 g/mol
LogP-0.45
Rot. Bonds1

About 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride

1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride (PubChem CID 160614600) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride.

Molecular Properties

Compound Name1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride
PubChem CID160614600
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride
SMILESCl.[O-][n+]1ccncc1N1CCNCC1
InChIInChI=1S/C8H12N4O.ClH/c13-12-6-3-10-7-8(12)11-4-1-9-2-5-11;/h3,6-7,9H,1-2,4-5H2;1H
InChIKeyRFXSVMNRWRMEHA-UHFFFAOYSA-N
XLogP-0.45
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-1-oxidopyridin-1-ium-2-yl)piperazine;dihydrochloride
CID 146049961
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CID 23133526
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride
CID 86593827
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583
5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
1-(5-bromo-1-methylimidazol-2-yl)piperazine
CID 117190420
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride
CID 12686430
5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 67539377

Frequently Asked Questions

What is the IUPAC name of 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride?
The IUPAC name of 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride (CID 160614600) is 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride.
What is the SMILES notation for 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride?
The canonical SMILES for 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride is Cl.[O-][n+]1ccncc1N1CCNCC1.
What is the InChIKey of 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride?
The InChIKey is RFXSVMNRWRMEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O.ClH/c13-12-6-3-10-7-8(12)11-4-1-9-2-5-11;/h3,6-7,9H,1-2,4-5H2;1H.
What are the key properties of 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride?
1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride is sourced from PubChem (CID 160614600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).