ethanol;nitramide;bis(nitric acid)

C4H16N4O10 — CID 159870281

IUPACethanol;nitramide;bis(nitric acid)
SMILESCCO.CCO.N[N+](=O)[O-].O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/2C2H6O.H2N2O2.2HNO3/c2*1-2-3;1-2(3)4;2*2-1(3)4/h2*3H,2H2,1H3;1H2;2*(H,2,3,4)
InChIKeyNSGHSKHYRLWFOD-UHFFFAOYSA-N
MW280.19 g/mol
LogP-1.56
Rot. Bonds

About ethanol;nitramide;bis(nitric acid)

ethanol;nitramide;bis(nitric acid) (PubChem CID 159870281) has the molecular formula C4H16N4O10 and a molecular weight of 280.19 g/mol. Its IUPAC name is ethanol;nitramide;bis(nitric acid).

Molecular Properties

Compound Nameethanol;nitramide;bis(nitric acid)
PubChem CID159870281
Molecular FormulaC4H16N4O10
Molecular Weight280.19 g/mol
Exact Mass280.09
IUPAC Nameethanol;nitramide;bis(nitric acid)
SMILESCCO.CCO.N[N+](=O)[O-].O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/2C2H6O.H2N2O2.2HNO3/c2*1-2-3;1-2(3)4;2*2-1(3)4/h2*3H,2H2,1H3;1H2;2*(H,2,3,4)
InChIKeyNSGHSKHYRLWFOD-UHFFFAOYSA-N
XLogP-1.56
TPSA236.36 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanol;nitramide;bis(nitric acid)?
The IUPAC name of ethanol;nitramide;bis(nitric acid) (CID 159870281) is ethanol;nitramide;bis(nitric acid).
What is the SMILES notation for ethanol;nitramide;bis(nitric acid)?
The canonical SMILES for ethanol;nitramide;bis(nitric acid) is CCO.CCO.N[N+](=O)[O-].O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of ethanol;nitramide;bis(nitric acid)?
The InChIKey is NSGHSKHYRLWFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6O.H2N2O2.2HNO3/c2*1-2-3;1-2(3)4;2*2-1(3)4/h2*3H,2H2,1H3;1H2;2*(H,2,3,4).
What are the key properties of ethanol;nitramide;bis(nitric acid)?
ethanol;nitramide;bis(nitric acid) has a molecular weight of 280.19 g/mol, XLogP of -1.56, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;nitramide;bis(nitric acid) is sourced from PubChem (CID 159870281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).