2-hydroxyethylimino-(methoxyamino)-oxidoazanium

C3H9N3O3 — CID 133053660

IUPAC2-hydroxyethylimino-(methoxyamino)-oxidoazanium
SMILESCON/[N+]([O-])=N/CCO
InChIInChI=1S/C3H9N3O3/c1-9-5-6(8)4-2-3-7/h7H,2-3H2,1H3,(H,4,5)
InChIKeyIDUSTCVPWLJFFI-UHFFFAOYSA-N
MW135.12 g/mol
LogP-0.99
Rot. Bonds4

About 2-hydroxyethylimino-(methoxyamino)-oxidoazanium

2-hydroxyethylimino-(methoxyamino)-oxidoazanium (PubChem CID 133053660) has the molecular formula C3H9N3O3 and a molecular weight of 135.12 g/mol. Its IUPAC name is 2-hydroxyethylimino-(methoxyamino)-oxidoazanium.

Molecular Properties

Compound Name2-hydroxyethylimino-(methoxyamino)-oxidoazanium
PubChem CID133053660
Molecular FormulaC3H9N3O3
Molecular Weight135.12 g/mol
Exact Mass135.06
IUPAC Name2-hydroxyethylimino-(methoxyamino)-oxidoazanium
SMILESCON/[N+]([O-])=N/CCO
InChIInChI=1S/C3H9N3O3/c1-9-5-6(8)4-2-3-7/h7H,2-3H2,1H3,(H,4,5)
InChIKeyIDUSTCVPWLJFFI-UHFFFAOYSA-N
XLogP-0.99
TPSA79.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylimino-(methoxyamino)-oxidoazanium?
The IUPAC name of 2-hydroxyethylimino-(methoxyamino)-oxidoazanium (CID 133053660) is 2-hydroxyethylimino-(methoxyamino)-oxidoazanium.
What is the SMILES notation for 2-hydroxyethylimino-(methoxyamino)-oxidoazanium?
The canonical SMILES for 2-hydroxyethylimino-(methoxyamino)-oxidoazanium is CON/[N+]([O-])=N/CCO.
What is the InChIKey of 2-hydroxyethylimino-(methoxyamino)-oxidoazanium?
The InChIKey is IDUSTCVPWLJFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O3/c1-9-5-6(8)4-2-3-7/h7H,2-3H2,1H3,(H,4,5).
What are the key properties of 2-hydroxyethylimino-(methoxyamino)-oxidoazanium?
2-hydroxyethylimino-(methoxyamino)-oxidoazanium has a molecular weight of 135.12 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylimino-(methoxyamino)-oxidoazanium is sourced from PubChem (CID 133053660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).