hydroxy(trimethoxy)azanium

C3H10NO4+ — CID 159204913

IUPAChydroxy(trimethoxy)azanium
SMILESCO[N+](O)(OC)OC
InChIInChI=1S/C3H10NO4/c1-6-4(5,7-2)8-3/h5H,1-3H3/q+1
InChIKeyQEUGHBVDGBMSNQ-UHFFFAOYSA-N
MW124.12 g/mol
LogP-0.12
Rot. Bonds3

About hydroxy(trimethoxy)azanium

hydroxy(trimethoxy)azanium (PubChem CID 159204913) has the molecular formula C3H10NO4+ and a molecular weight of 124.12 g/mol. Its IUPAC name is hydroxy(trimethoxy)azanium.

Molecular Properties

Compound Namehydroxy(trimethoxy)azanium
PubChem CID159204913
Molecular FormulaC3H10NO4+
Molecular Weight124.12 g/mol
Exact Mass124.06
IUPAC Namehydroxy(trimethoxy)azanium
SMILESCO[N+](O)(OC)OC
InChIInChI=1S/C3H10NO4/c1-6-4(5,7-2)8-3/h5H,1-3H3/q+1
InChIKeyQEUGHBVDGBMSNQ-UHFFFAOYSA-N
XLogP-0.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy(trimethoxy)azanium?
The IUPAC name of hydroxy(trimethoxy)azanium (CID 159204913) is hydroxy(trimethoxy)azanium.
What is the SMILES notation for hydroxy(trimethoxy)azanium?
The canonical SMILES for hydroxy(trimethoxy)azanium is CO[N+](O)(OC)OC.
What is the InChIKey of hydroxy(trimethoxy)azanium?
The InChIKey is QEUGHBVDGBMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO4/c1-6-4(5,7-2)8-3/h5H,1-3H3/q+1.
What are the key properties of hydroxy(trimethoxy)azanium?
hydroxy(trimethoxy)azanium has a molecular weight of 124.12 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(trimethoxy)azanium is sourced from PubChem (CID 159204913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).