oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium

C10H16N6O3P+ — CID 67643334

IUPACoxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium
SMILESO=[P+](OCCCc1ncn[nH]1)OCCCc1ncn[nH]1
InChIInChI=1S/C10H16N6O3P/c17-20(18-5-1-3-9-11-7-13-15-9)19-6-2-4-10-12-8-14-16-10/h7-8H,1-6H2,(H,11,13,15)(H,12,14,16)/q+1
InChIKeyHJZQSLCFEAYUPE-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.18
Rot. Bonds10

About oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium

oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium (PubChem CID 67643334) has the molecular formula C10H16N6O3P+ and a molecular weight of 299.25 g/mol. Its IUPAC name is oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium
PubChem CID67643334
Molecular FormulaC10H16N6O3P+
Molecular Weight299.25 g/mol
Exact Mass299.10
IUPAC Nameoxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium
SMILESO=[P+](OCCCc1ncn[nH]1)OCCCc1ncn[nH]1
InChIInChI=1S/C10H16N6O3P/c17-20(18-5-1-3-9-11-7-13-15-9)19-6-2-4-10-12-8-14-16-10/h7-8H,1-6H2,(H,11,13,15)(H,12,14,16)/q+1
InChIKeyHJZQSLCFEAYUPE-UHFFFAOYSA-N
XLogP1.18
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium?
The IUPAC name of oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium (CID 67643334) is oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium.
What is the SMILES notation for oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium?
The canonical SMILES for oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium is O=[P+](OCCCc1ncn[nH]1)OCCCc1ncn[nH]1.
What is the InChIKey of oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium?
The InChIKey is HJZQSLCFEAYUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3P/c17-20(18-5-1-3-9-11-7-13-15-9)19-6-2-4-10-12-8-14-16-10/h7-8H,1-6H2,(H,11,13,15)(H,12,14,16)/q+1.
What are the key properties of oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium?
oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium has a molecular weight of 299.25 g/mol, XLogP of 1.18, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[3-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium is sourced from PubChem (CID 67643334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).