[[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide

C3H11N3O2 — CID 163488917

IUPAC[[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide
SMILESCCO[NH+]([O-])[NH+](C)[NH-]
InChIInChI=1S/C3H11N3O2/c1-3-8-6(7)5(2)4/h4-6H,3H2,1-2H3
InChIKeyCKXQWHMZXOLUHY-UHFFFAOYSA-N
MW121.14 g/mol
LogP-2.28
Rot. Bonds3

About [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide

[[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide (PubChem CID 163488917) has the molecular formula C3H11N3O2 and a molecular weight of 121.14 g/mol. Its IUPAC name is [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide.

Molecular Properties

Compound Name[[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide
PubChem CID163488917
Molecular FormulaC3H11N3O2
Molecular Weight121.14 g/mol
Exact Mass121.09
IUPAC Name[[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide
SMILESCCO[NH+]([O-])[NH+](C)[NH-]
InChIInChI=1S/C3H11N3O2/c1-3-8-6(7)5(2)4/h4-6H,3H2,1-2H3
InChIKeyCKXQWHMZXOLUHY-UHFFFAOYSA-N
XLogP-2.28
TPSA64.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide 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 [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide?
The IUPAC name of [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide (CID 163488917) is [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide.
What is the SMILES notation for [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide?
The canonical SMILES for [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide is CCO[NH+]([O-])[NH+](C)[NH-].
What is the InChIKey of [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide?
The InChIKey is CKXQWHMZXOLUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O2/c1-3-8-6(7)5(2)4/h4-6H,3H2,1-2H3.
What are the key properties of [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide?
[[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide has a molecular weight of 121.14 g/mol, XLogP of -2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[ethoxy(oxido)azaniumyl]-methylazaniumyl]azanide is sourced from PubChem (CID 163488917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).