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

C3H11N3O — CID 163751461

IUPACmethyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide
SMILESC[N-][NH+](C)[NH+](C)[O-]
InChIInChI=1S/C3H11N3O/c1-4-5(2)6(3)7/h5-6H,1-3H3
InChIKeyLQIFNUIGHCDDKN-UHFFFAOYSA-N
MW105.14 g/mol
LogP-2.65
Rot. Bonds2

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

methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide (PubChem CID 163751461) has the molecular formula C3H11N3O and a molecular weight of 105.14 g/mol. Its IUPAC name is methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide.

Molecular Properties

Compound Namemethyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide
PubChem CID163751461
Molecular FormulaC3H11N3O
Molecular Weight105.14 g/mol
Exact Mass105.09
IUPAC Namemethyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide
SMILESC[N-][NH+](C)[NH+](C)[O-]
InChIInChI=1S/C3H11N3O/c1-4-5(2)6(3)7/h5-6H,1-3H3
InChIKeyLQIFNUIGHCDDKN-UHFFFAOYSA-N
XLogP-2.65
TPSA46.04 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-2.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]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 methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide?
The IUPAC name of methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide (CID 163751461) is methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide.
What is the SMILES notation for methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide?
The canonical SMILES for methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide is C[N-][NH+](C)[NH+](C)[O-].
What is the InChIKey of methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide?
The InChIKey is LQIFNUIGHCDDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O/c1-4-5(2)6(3)7/h5-6H,1-3H3.
What are the key properties of methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide?
methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide has a molecular weight of 105.14 g/mol, XLogP of -2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[methyl-[methyl(oxido)azaniumyl]azaniumyl]azanide is sourced from PubChem (CID 163751461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).