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

C10H16N6O3P+ — CID 57256431

IUPACoxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium
SMILESCCC(O[P+](=O)OC(CC)c1ncn[nH]1)c1ncn[nH]1
InChIInChI=1S/C10H16N6O3P/c1-3-7(9-11-5-13-15-9)18-20(17)19-8(4-2)10-12-6-14-16-10/h5-8H,3-4H2,1-2H3,(H,11,13,15)(H,12,14,16)/q+1
InChIKeyUYVICQJISGMVPF-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.22
Rot. Bonds8

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

oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium (PubChem CID 57256431) has the molecular formula C10H16N6O3P+ and a molecular weight of 299.25 g/mol. Its IUPAC name is oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium
PubChem CID57256431
Molecular FormulaC10H16N6O3P+
Molecular Weight299.25 g/mol
Exact Mass299.10
IUPAC Nameoxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium
SMILESCCC(O[P+](=O)OC(CC)c1ncn[nH]1)c1ncn[nH]1
InChIInChI=1S/C10H16N6O3P/c1-3-7(9-11-5-13-15-9)18-20(17)19-8(4-2)10-12-6-14-16-10/h5-8H,3-4H2,1-2H3,(H,11,13,15)(H,12,14,16)/q+1
InChIKeyUYVICQJISGMVPF-UHFFFAOYSA-N
XLogP2.22
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium?
The IUPAC name of oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium (CID 57256431) is oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium.
What is the SMILES notation for oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium?
The canonical SMILES for oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium is CCC(O[P+](=O)OC(CC)c1ncn[nH]1)c1ncn[nH]1.
What is the InChIKey of oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium?
The InChIKey is UYVICQJISGMVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3P/c1-3-7(9-11-5-13-15-9)18-20(17)19-8(4-2)10-12-6-14-16-10/h5-8H,3-4H2,1-2H3,(H,11,13,15)(H,12,14,16)/q+1.
What are the key properties of oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium?
oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium has a molecular weight of 299.25 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium is sourced from PubChem (CID 57256431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).