azane;nitro nitrate

H3N3O5 — CID 158549991

IUPACazane;nitro nitrate
SMILESN.O=[N+]([O-])O[N+](=O)[O-]
InChIInChI=1S/N2O5.H3N/c3-1(4)7-2(5)6;/h;1H3
InChIKeyLLVVESDLEXJMAU-UHFFFAOYSA-N
MW125.04 g/mol
LogP-0.45
Rot. Bonds2

About azane;nitro nitrate

azane;nitro nitrate (PubChem CID 158549991) has the molecular formula H3N3O5 and a molecular weight of 125.04 g/mol. Its IUPAC name is azane;nitro nitrate.

Molecular Properties

Compound Nameazane;nitro nitrate
PubChem CID158549991
Molecular FormulaH3N3O5
Molecular Weight125.04 g/mol
Exact Mass125.01
IUPAC Nameazane;nitro nitrate
SMILESN.O=[N+]([O-])O[N+](=O)[O-]
InChIInChI=1S/N2O5.H3N/c3-1(4)7-2(5)6;/h;1H3
InChIKeyLLVVESDLEXJMAU-UHFFFAOYSA-N
XLogP-0.45
TPSA130.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.04
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 azane;nitro nitrate?
The IUPAC name of azane;nitro nitrate (CID 158549991) is azane;nitro nitrate.
What is the SMILES notation for azane;nitro nitrate?
The canonical SMILES for azane;nitro nitrate is N.O=[N+]([O-])O[N+](=O)[O-].
What is the InChIKey of azane;nitro nitrate?
The InChIKey is LLVVESDLEXJMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/N2O5.H3N/c3-1(4)7-2(5)6;/h;1H3.
What are the key properties of azane;nitro nitrate?
azane;nitro nitrate has a molecular weight of 125.04 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nitro nitrate is sourced from PubChem (CID 158549991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).