methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium

C4H10N4O4 — CID 177256206

IUPACmethoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium
SMILESCO/[N+]([O-])=N/CCN(C)[N+](=O)[O-]
InChIInChI=1S/C4H10N4O4/c1-6(8(10)11)4-3-5-7(9)12-2/h3-4H2,1-2H3/b7-5+
InChIKeyGBSLTDASCKXVJL-FNORWQNLSA-N
MW178.15 g/mol
LogP-0.37
Rot. Bonds5

About methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium

methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium (PubChem CID 177256206) has the molecular formula C4H10N4O4 and a molecular weight of 178.15 g/mol. Its IUPAC name is methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium.

Molecular Properties

Compound Namemethoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium
PubChem CID177256206
Molecular FormulaC4H10N4O4
Molecular Weight178.15 g/mol
Exact Mass178.07
IUPAC Namemethoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium
SMILESCO/[N+]([O-])=N/CCN(C)[N+](=O)[O-]
InChIInChI=1S/C4H10N4O4/c1-6(8(10)11)4-3-5-7(9)12-2/h3-4H2,1-2H3/b7-5+
InChIKeyGBSLTDASCKXVJL-FNORWQNLSA-N
XLogP-0.37
TPSA94.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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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Frequently Asked Questions

What is the IUPAC name of methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium?
The IUPAC name of methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium (CID 177256206) is methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium.
What is the SMILES notation for methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium?
The canonical SMILES for methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium is CO/[N+]([O-])=N/CCN(C)[N+](=O)[O-].
What is the InChIKey of methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium?
The InChIKey is GBSLTDASCKXVJL-FNORWQNLSA-N. The full InChI is InChI=1S/C4H10N4O4/c1-6(8(10)11)4-3-5-7(9)12-2/h3-4H2,1-2H3/b7-5+.
What are the key properties of methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium?
methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium has a molecular weight of 178.15 g/mol, XLogP of -0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium is sourced from PubChem (CID 177256206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).