magnesium;carbanide;piperazine;hydrochloride

C5H14ClMgN2+ — CID 173300416

IUPACmagnesium;carbanide;piperazine;hydrochloride
SMILESC1CNCCN1.Cl.[CH3-].[Mg+2]
InChIInChI=1S/C4H10N2.CH3.ClH.Mg/c1-2-6-4-3-5-1;;;/h5-6H,1-4H2;1H3;1H;/q;-1;;+2
InChIKeyIQQBYPHQMKOMHY-UHFFFAOYSA-N
MW161.94 g/mol
LogP-0.33
Rot. Bonds

About magnesium;carbanide;piperazine;hydrochloride

magnesium;carbanide;piperazine;hydrochloride (PubChem CID 173300416) has the molecular formula C5H14ClMgN2+ and a molecular weight of 161.94 g/mol. Its IUPAC name is magnesium;carbanide;piperazine;hydrochloride.

Molecular Properties

Compound Namemagnesium;carbanide;piperazine;hydrochloride
PubChem CID173300416
Molecular FormulaC5H14ClMgN2+
Molecular Weight161.94 g/mol
Exact Mass161.07
IUPAC Namemagnesium;carbanide;piperazine;hydrochloride
SMILESC1CNCCN1.Cl.[CH3-].[Mg+2]
InChIInChI=1S/C4H10N2.CH3.ClH.Mg/c1-2-6-4-3-5-1;;;/h5-6H,1-4H2;1H3;1H;/q;-1;;+2
InChIKeyIQQBYPHQMKOMHY-UHFFFAOYSA-N
XLogP-0.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.94
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,4,7-triazonane;pentahydrochloride
CID 75530446
copper;piperazine;dihydrochloride
CID 173325981
1,4,7,10,13,16-hexazacyclooctadecane;hexahydrate;hydrochloride
CID 175059563
1,4,7,10,13,16,19,22-octazacyclotetracosane
CID 6395032
azanium;piperazine;chloride;dihydrochloride
CID 158242321
1,4,7,10,13,16-hexazacyclooctadecane;hexahydrate
CID 175372401
CID 87408128
CID 87408128
piperazine;tellane
CID 174387727
CID 67656711
CID 67656711
copper 1,4,7,10-tetrazacyclododecane
CID 46241917
azane;1,4,7-triazonane
CID 90266240
cerium;piperazine
CID 175976631

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;piperazine;hydrochloride?
The IUPAC name of magnesium;carbanide;piperazine;hydrochloride (CID 173300416) is magnesium;carbanide;piperazine;hydrochloride.
What is the SMILES notation for magnesium;carbanide;piperazine;hydrochloride?
The canonical SMILES for magnesium;carbanide;piperazine;hydrochloride is C1CNCCN1.Cl.[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbanide;piperazine;hydrochloride?
The InChIKey is IQQBYPHQMKOMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.CH3.ClH.Mg/c1-2-6-4-3-5-1;;;/h5-6H,1-4H2;1H3;1H;/q;-1;;+2.
What are the key properties of magnesium;carbanide;piperazine;hydrochloride?
magnesium;carbanide;piperazine;hydrochloride has a molecular weight of 161.94 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;piperazine;hydrochloride is sourced from PubChem (CID 173300416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).