dihydroxy(oxo)phosphanium;1H-1,2,4-triazole

C2H5N3O3P+ — CID 158129586

IUPACdihydroxy(oxo)phosphanium;1H-1,2,4-triazole
SMILESO=[P+](O)O.c1nc[nH]n1
InChIInChI=1S/C2H3N3.HO3P/c1-3-2-5-4-1;1-4(2)3/h1-2H,(H,3,4,5);(H-,1,2,3)/p+1
InChIKeyFLPJUWUEVUJPHA-UHFFFAOYSA-O
MW150.05 g/mol
LogP-0.57
Rot. Bonds

About dihydroxy(oxo)phosphanium;1H-1,2,4-triazole

dihydroxy(oxo)phosphanium;1H-1,2,4-triazole (PubChem CID 158129586) has the molecular formula C2H5N3O3P+ and a molecular weight of 150.05 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1H-1,2,4-triazole.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1H-1,2,4-triazole
PubChem CID158129586
Molecular FormulaC2H5N3O3P+
Molecular Weight150.05 g/mol
Exact Mass150.01
IUPAC Namedihydroxy(oxo)phosphanium;1H-1,2,4-triazole
SMILESO=[P+](O)O.c1nc[nH]n1
InChIInChI=1S/C2H3N3.HO3P/c1-3-2-5-4-1;1-4(2)3/h1-2H,(H,3,4,5);(H-,1,2,3)/p+1
InChIKeyFLPJUWUEVUJPHA-UHFFFAOYSA-O
XLogP-0.57
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.05
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dihydroxy(oxo)phosphanium;1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1H-1,2,4-triazole?
The IUPAC name of dihydroxy(oxo)phosphanium;1H-1,2,4-triazole (CID 158129586) is dihydroxy(oxo)phosphanium;1H-1,2,4-triazole.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1H-1,2,4-triazole?
The canonical SMILES for dihydroxy(oxo)phosphanium;1H-1,2,4-triazole is O=[P+](O)O.c1nc[nH]n1.
What is the InChIKey of dihydroxy(oxo)phosphanium;1H-1,2,4-triazole?
The InChIKey is FLPJUWUEVUJPHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3N3.HO3P/c1-3-2-5-4-1;1-4(2)3/h1-2H,(H,3,4,5);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1H-1,2,4-triazole?
dihydroxy(oxo)phosphanium;1H-1,2,4-triazole has a molecular weight of 150.05 g/mol, XLogP of -0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1H-1,2,4-triazole is sourced from PubChem (CID 158129586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).