N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide

C2H9N3O3 — CID 163746959

IUPACN-[[methoxy(oxido)azaniumyl]amino]methanamine oxide
SMILESCO[NH+]([O-])N[NH+](C)[O-]
InChIInChI=1S/C2H9N3O3/c1-4(6)3-5(7)8-2/h3-5H,1-2H3
InChIKeyPBRNVVZVUCOONF-UHFFFAOYSA-N
MW123.11 g/mol
LogP-3.64
Rot. Bonds3

About N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide

N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide (PubChem CID 163746959) has the molecular formula C2H9N3O3 and a molecular weight of 123.11 g/mol. Its IUPAC name is N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide.

Molecular Properties

Compound NameN-[[methoxy(oxido)azaniumyl]amino]methanamine oxide
PubChem CID163746959
Molecular FormulaC2H9N3O3
Molecular Weight123.11 g/mol
Exact Mass123.06
IUPAC NameN-[[methoxy(oxido)azaniumyl]amino]methanamine oxide
SMILESCO[NH+]([O-])N[NH+](C)[O-]
InChIInChI=1S/C2H9N3O3/c1-4(6)3-5(7)8-2/h3-5H,1-2H3
InChIKeyPBRNVVZVUCOONF-UHFFFAOYSA-N
XLogP-3.64
TPSA76.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-3.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide?
The IUPAC name of N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide (CID 163746959) is N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide.
What is the SMILES notation for N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide?
The canonical SMILES for N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide is CO[NH+]([O-])N[NH+](C)[O-].
What is the InChIKey of N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide?
The InChIKey is PBRNVVZVUCOONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N3O3/c1-4(6)3-5(7)8-2/h3-5H,1-2H3.
What are the key properties of N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide?
N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide has a molecular weight of 123.11 g/mol, XLogP of -3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[methoxy(oxido)azaniumyl]amino]methanamine oxide is sourced from PubChem (CID 163746959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).