[[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide

C3H11N3O2 — CID 163981774

IUPAC[[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide
SMILESC[N-][NH+](C)[NH+]([O-])OC
InChIInChI=1S/C3H11N3O2/c1-4-5(2)6(7)8-3/h5-6H,1-3H3
InChIKeySZAKFBOFHCTQNW-UHFFFAOYSA-N
MW121.14 g/mol
LogP-2.72
Rot. Bonds3

About [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide

[[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide (PubChem CID 163981774) has the molecular formula C3H11N3O2 and a molecular weight of 121.14 g/mol. Its IUPAC name is [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide.

Molecular Properties

Compound Name[[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide
PubChem CID163981774
Molecular FormulaC3H11N3O2
Molecular Weight121.14 g/mol
Exact Mass121.09
IUPAC Name[[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide
SMILESC[N-][NH+](C)[NH+]([O-])OC
InChIInChI=1S/C3H11N3O2/c1-4-5(2)6(7)8-3/h5-6H,1-3H3
InChIKeySZAKFBOFHCTQNW-UHFFFAOYSA-N
XLogP-2.72
TPSA55.27 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 ≤ 5-2.72
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 [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide?
The IUPAC name of [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide (CID 163981774) is [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide.
What is the SMILES notation for [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide?
The canonical SMILES for [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide is C[N-][NH+](C)[NH+]([O-])OC.
What is the InChIKey of [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide?
The InChIKey is SZAKFBOFHCTQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O2/c1-4-5(2)6(7)8-3/h5-6H,1-3H3.
What are the key properties of [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide?
[[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide has a molecular weight of 121.14 g/mol, XLogP of -2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[methoxy(oxido)azaniumyl]-methylazaniumyl]-methylazanide is sourced from PubChem (CID 163981774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).