strontium;5-nitro-1,2,4-triazol-3-one;dinitrate

C2N6O9Sr — CID 158594939

IUPACstrontium;5-nitro-1,2,4-triazol-3-one;dinitrate
SMILESO=C1N=NC([N+](=O)[O-])=N1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Sr+2]
InChIInChI=1S/C2N4O3.2NO3.Sr/c7-2-3-1(4-5-2)6(8)9;2*2-1(3)4;/q;2*-1;+2
InChIKeyHUXHVWOOHIPETN-UHFFFAOYSA-N
MW339.68 g/mol
LogP-0.65
Rot. Bonds

About strontium;5-nitro-1,2,4-triazol-3-one;dinitrate

strontium;5-nitro-1,2,4-triazol-3-one;dinitrate (PubChem CID 158594939) has the molecular formula C2N6O9Sr and a molecular weight of 339.68 g/mol. Its IUPAC name is strontium;5-nitro-1,2,4-triazol-3-one;dinitrate.

Molecular Properties

Compound Namestrontium;5-nitro-1,2,4-triazol-3-one;dinitrate
PubChem CID158594939
Molecular FormulaC2N6O9Sr
Molecular Weight339.68 g/mol
Exact Mass339.88
IUPAC Namestrontium;5-nitro-1,2,4-triazol-3-one;dinitrate
SMILESO=C1N=NC([N+](=O)[O-])=N1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Sr+2]
InChIInChI=1S/C2N4O3.2NO3.Sr/c7-2-3-1(4-5-2)6(8)9;2*2-1(3)4;/q;2*-1;+2
InChIKeyHUXHVWOOHIPETN-UHFFFAOYSA-N
XLogP-0.65
TPSA229.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.68
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 strontium;5-nitro-1,2,4-triazol-3-one;dinitrate?
The IUPAC name of strontium;5-nitro-1,2,4-triazol-3-one;dinitrate (CID 158594939) is strontium;5-nitro-1,2,4-triazol-3-one;dinitrate.
What is the SMILES notation for strontium;5-nitro-1,2,4-triazol-3-one;dinitrate?
The canonical SMILES for strontium;5-nitro-1,2,4-triazol-3-one;dinitrate is O=C1N=NC([N+](=O)[O-])=N1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Sr+2].
What is the InChIKey of strontium;5-nitro-1,2,4-triazol-3-one;dinitrate?
The InChIKey is HUXHVWOOHIPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N4O3.2NO3.Sr/c7-2-3-1(4-5-2)6(8)9;2*2-1(3)4;/q;2*-1;+2.
What are the key properties of strontium;5-nitro-1,2,4-triazol-3-one;dinitrate?
strontium;5-nitro-1,2,4-triazol-3-one;dinitrate has a molecular weight of 339.68 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;5-nitro-1,2,4-triazol-3-one;dinitrate is sourced from PubChem (CID 158594939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).