ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium

C4H7N3O3P+ — CID 174333232

IUPACethoxy-oxo-(2H-triazol-4-yloxy)phosphanium
SMILESCCO[P+](=O)Oc1cn[nH]n1
InChIInChI=1S/C4H7N3O3P/c1-2-9-11(8)10-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)/q+1
InChIKeyLTGGRPGZWNRPJZ-UHFFFAOYSA-N
MW176.09 g/mol
LogP0.88
Rot. Bonds4

About ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium

ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium (PubChem CID 174333232) has the molecular formula C4H7N3O3P+ and a molecular weight of 176.09 g/mol. Its IUPAC name is ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(2H-triazol-4-yloxy)phosphanium
PubChem CID174333232
Molecular FormulaC4H7N3O3P+
Molecular Weight176.09 g/mol
Exact Mass176.02
IUPAC Nameethoxy-oxo-(2H-triazol-4-yloxy)phosphanium
SMILESCCO[P+](=O)Oc1cn[nH]n1
InChIInChI=1S/C4H7N3O3P/c1-2-9-11(8)10-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)/q+1
InChIKeyLTGGRPGZWNRPJZ-UHFFFAOYSA-N
XLogP0.88
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.09
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium?
The IUPAC name of ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium (CID 174333232) is ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium.
What is the SMILES notation for ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium?
The canonical SMILES for ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium is CCO[P+](=O)Oc1cn[nH]n1.
What is the InChIKey of ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium?
The InChIKey is LTGGRPGZWNRPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O3P/c1-2-9-11(8)10-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)/q+1.
What are the key properties of ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium?
ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium has a molecular weight of 176.09 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(2H-triazol-4-yloxy)phosphanium is sourced from PubChem (CID 174333232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).