[methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide

C2H9N3O2 — CID 163518494

IUPAC[methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide
SMILESC[NH+]([NH-])O[NH+](C)[O-]
InChIInChI=1S/C2H9N3O2/c1-4(3)7-5(2)6/h3-5H,1-2H3
InChIKeyDIUNTOAZMXQVNT-UHFFFAOYSA-N
MW107.11 g/mol
LogP-2.67
Rot. Bonds2

About [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide

[methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide (PubChem CID 163518494) has the molecular formula C2H9N3O2 and a molecular weight of 107.11 g/mol. Its IUPAC name is [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide.

Molecular Properties

Compound Name[methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide
PubChem CID163518494
Molecular FormulaC2H9N3O2
Molecular Weight107.11 g/mol
Exact Mass107.07
IUPAC Name[methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide
SMILESC[NH+]([NH-])O[NH+](C)[O-]
InChIInChI=1S/C2H9N3O2/c1-4(3)7-5(2)6/h3-5H,1-2H3
InChIKeyDIUNTOAZMXQVNT-UHFFFAOYSA-N
XLogP-2.67
TPSA64.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-2.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide?
The IUPAC name of [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide (CID 163518494) is [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide.
What is the SMILES notation for [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide?
The canonical SMILES for [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide is C[NH+]([NH-])O[NH+](C)[O-].
What is the InChIKey of [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide?
The InChIKey is DIUNTOAZMXQVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N3O2/c1-4(3)7-5(2)6/h3-5H,1-2H3.
What are the key properties of [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide?
[methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide has a molecular weight of 107.11 g/mol, XLogP of -2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[methyl(oxido)azaniumyl]oxyazaniumyl]azanide is sourced from PubChem (CID 163518494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).