dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol

C24H25N3O4P+ — CID 67873102

IUPACdihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCC(O)c1ncnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.O=[P+](O)O
InChIInChI=1S/C24H23N3O.HO3P/c1-2-22(28)23-25-18-26-27(23)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-4(2)3/h3-18,22,28H,2H2,1H3;(H-,1,2,3)/p+1
InChIKeyWMCDYVJSAICWNE-UHFFFAOYSA-O
MW450.46 g/mol
LogP4.19
Rot. Bonds6

About dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol

dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 67873102) has the molecular formula C24H25N3O4P+ and a molecular weight of 450.46 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID67873102
Molecular FormulaC24H25N3O4P+
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Namedihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCC(O)c1ncnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.O=[P+](O)O
InChIInChI=1S/C24H23N3O.HO3P/c1-2-22(28)23-25-18-26-27(23)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-4(2)3/h3-18,22,28H,2H2,1H3;(H-,1,2,3)/p+1
InChIKeyWMCDYVJSAICWNE-UHFFFAOYSA-O
XLogP4.19
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol (CID 67873102) is dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol is CCC(O)c1ncnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is WMCDYVJSAICWNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N3O.HO3P/c1-2-22(28)23-25-18-26-27(23)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-4(2)3/h3-18,22,28H,2H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol?
dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 450.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1-(2-trityl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 67873102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).