methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium

C7H11N7O6 — CID 138376434

IUPACmethoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium
SMILESCON=[N+]([O-])C(Cn1cc([N+](=O)[O-])cn1)[N+]([O-])=NOC
InChIInChI=1S/C7H11N7O6/c1-19-9-12(15)7(13(16)10-20-2)5-11-4-6(3-8-11)14(17)18/h3-4,7H,5H2,1-2H3
InChIKeyGLJCSPOEDRQBCN-UHFFFAOYSA-N
MW289.21 g/mol
LogP0.17
Rot. Bonds7

About methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium

methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium (PubChem CID 138376434) has the molecular formula C7H11N7O6 and a molecular weight of 289.21 g/mol. Its IUPAC name is methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium.

Molecular Properties

Compound Namemethoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium
PubChem CID138376434
Molecular FormulaC7H11N7O6
Molecular Weight289.21 g/mol
Exact Mass289.08
IUPAC Namemethoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium
SMILESCON=[N+]([O-])C(Cn1cc([N+](=O)[O-])cn1)[N+]([O-])=NOC
InChIInChI=1S/C7H11N7O6/c1-19-9-12(15)7(13(16)10-20-2)5-11-4-6(3-8-11)14(17)18/h3-4,7H,5H2,1-2H3
InChIKeyGLJCSPOEDRQBCN-UHFFFAOYSA-N
XLogP0.17
TPSA156.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium?
The IUPAC name of methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium (CID 138376434) is methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium.
What is the SMILES notation for methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium?
The canonical SMILES for methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium is CON=[N+]([O-])C(Cn1cc([N+](=O)[O-])cn1)[N+]([O-])=NOC.
What is the InChIKey of methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium?
The InChIKey is GLJCSPOEDRQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7O6/c1-19-9-12(15)7(13(16)10-20-2)5-11-4-6(3-8-11)14(17)18/h3-4,7H,5H2,1-2H3.
What are the key properties of methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium?
methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium has a molecular weight of 289.21 g/mol, XLogP of 0.17, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyimino-[1-[methoxyimino(oxido)azaniumyl]-2-(4-nitropyrazol-1-yl)ethyl]-oxidoazanium is sourced from PubChem (CID 138376434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).