dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole

C5H9N3O3P+ — CID 67571820

IUPACdihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole
SMILESCC=Cc1ncn[nH]1.O=[P+](O)O
InChIInChI=1S/C5H7N3.HO3P/c1-2-3-5-6-4-7-8-5;1-4(2)3/h2-4H,1H3,(H,6,7,8);(H-,1,2,3)/p+1
InChIKeyXHUZSQJNEHRPQK-UHFFFAOYSA-O
MW190.12 g/mol
LogP0.47
Rot. Bonds1

About dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole

dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole (PubChem CID 67571820) has the molecular formula C5H9N3O3P+ and a molecular weight of 190.12 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole
PubChem CID67571820
Molecular FormulaC5H9N3O3P+
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Namedihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole
SMILESCC=Cc1ncn[nH]1.O=[P+](O)O
InChIInChI=1S/C5H7N3.HO3P/c1-2-3-5-6-4-7-8-5;1-4(2)3/h2-4H,1H3,(H,6,7,8);(H-,1,2,3)/p+1
InChIKeyXHUZSQJNEHRPQK-UHFFFAOYSA-O
XLogP0.47
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Ethenyl-1H-1,2,4-triazole
CID 19004185
[1-fluoro-3-(1H-1,2,4-triazol-5-yl)prop-2-enyl]phosphonic acid
CID 54262964
[(E)-1-fluoro-3-(1H-1,2,4-triazol-5-yl)prop-2-enyl]phosphonic acid
CID 67571182
5-[(E)-3-fluoroprop-1-enyl]-1H-1,2,4-triazole
CID 88290905
5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
CID 67571187
dihydroxy(oxo)phosphanium;5-propyl-1H-1,2,4-triazole
CID 20087681
3-(1H-1,2,4-triazol-5-yl)prop-2-enylphosphonic acid
CID 53680633
dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
CID 67571186
[(E)-3-(1H-1,2,4-triazol-5-yl)prop-2-enyl]phosphonic acid
CID 67571818
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 87792768
dihydroxy(oxo)phosphanium;5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 88291230

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole?
The IUPAC name of dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole (CID 67571820) is dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole.
What is the SMILES notation for dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole?
The canonical SMILES for dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole is CC=Cc1ncn[nH]1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole?
The InChIKey is XHUZSQJNEHRPQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N3.HO3P/c1-2-3-5-6-4-7-8-5;1-4(2)3/h2-4H,1H3,(H,6,7,8);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole?
dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole has a molecular weight of 190.12 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;5-prop-1-enyl-1H-1,2,4-triazole is sourced from PubChem (CID 67571820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).