N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine

C2H5N5O6-4 — CID 163973644

IUPACN-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine
SMILESCCN([O-])ON([O-])N1N([O-])ON1[O-]
InChIInChI=1S/C2H5N5O6/c1-2-3(8)12-5(9)4-6(10)13-7(4)11/h2H2,1H3/q-4
InChIKeyCHSZVQPATJQVHI-UHFFFAOYSA-N
MW195.09 g/mol
LogP-1.04
Rot. Bonds4

About N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine

N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine (PubChem CID 163973644) has the molecular formula C2H5N5O6-4 and a molecular weight of 195.09 g/mol. Its IUPAC name is N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine.

Molecular Properties

Compound NameN-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine
PubChem CID163973644
Molecular FormulaC2H5N5O6-4
Molecular Weight195.09 g/mol
Exact Mass195.03
IUPAC NameN-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine
SMILESCCN([O-])ON([O-])N1N([O-])ON1[O-]
InChIInChI=1S/C2H5N5O6/c1-2-3(8)12-5(9)4-6(10)13-7(4)11/h2H2,1H3/q-4
InChIKeyCHSZVQPATJQVHI-UHFFFAOYSA-N
XLogP-1.04
TPSA126.90 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.09
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine?
The IUPAC name of N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine (CID 163973644) is N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine.
What is the SMILES notation for N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine?
The canonical SMILES for N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine is CCN([O-])ON([O-])N1N([O-])ON1[O-].
What is the InChIKey of N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine?
The InChIKey is CHSZVQPATJQVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N5O6/c1-2-3(8)12-5(9)4-6(10)13-7(4)11/h2H2,1H3/q-4.
What are the key properties of N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine?
N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine has a molecular weight of 195.09 g/mol, XLogP of -1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(oxido)amino]oxy-N,2,4-trioxidooxatriazetidin-3-amine is sourced from PubChem (CID 163973644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).