magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate

C3H6MgN8O6 — CID 174776136

IUPACmagnesium;1,3,5-triazine-2,4,6-triamine;dinitrate
SMILESNc1nc(N)nc(N)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2]
InChIInChI=1S/C3H6N6.Mg.2NO3/c4-1-7-2(5)9-3(6)8-1;;2*2-1(3)4/h(H6,4,5,6,7,8,9);;;/q;+2;2*-1
InChIKeyCBMJIZMIFZTHDL-UHFFFAOYSA-N
MW274.44 g/mol
LogP-2.24
Rot. Bonds

About magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate

magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate (PubChem CID 174776136) has the molecular formula C3H6MgN8O6 and a molecular weight of 274.44 g/mol. Its IUPAC name is magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate.

Molecular Properties

Compound Namemagnesium;1,3,5-triazine-2,4,6-triamine;dinitrate
PubChem CID174776136
Molecular FormulaC3H6MgN8O6
Molecular Weight274.44 g/mol
Exact Mass274.03
IUPAC Namemagnesium;1,3,5-triazine-2,4,6-triamine;dinitrate
SMILESNc1nc(N)nc(N)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2]
InChIInChI=1S/C3H6N6.Mg.2NO3/c4-1-7-2(5)9-3(6)8-1;;2*2-1(3)4/h(H6,4,5,6,7,8,9);;;/q;+2;2*-1
InChIKeyCBMJIZMIFZTHDL-UHFFFAOYSA-N
XLogP-2.24
TPSA249.13 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.44
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate?
The IUPAC name of magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate (CID 174776136) is magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate.
What is the SMILES notation for magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate?
The canonical SMILES for magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate is Nc1nc(N)nc(N)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate?
The InChIKey is CBMJIZMIFZTHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.Mg.2NO3/c4-1-7-2(5)9-3(6)8-1;;2*2-1(3)4/h(H6,4,5,6,7,8,9);;;/q;+2;2*-1.
What are the key properties of magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate?
magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate has a molecular weight of 274.44 g/mol, XLogP of -2.24, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate is sourced from PubChem (CID 174776136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).