2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium

C3H3Cl2N3O3P+ — CID 21322789

IUPAC2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium
SMILESClc1ncnc(Cl)n1.O=[P+](O)O
InChIInChI=1S/C3HCl2N3.HO3P/c4-2-6-1-7-3(5)8-2;1-4(2)3/h1H;(H-,1,2,3)/p+1
InChIKeyQOYIHTYWRTZROY-UHFFFAOYSA-O
MW230.96 g/mol
LogP0.81
Rot. Bonds

About 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium

2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium (PubChem CID 21322789) has the molecular formula C3H3Cl2N3O3P+ and a molecular weight of 230.96 g/mol. Its IUPAC name is 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium
PubChem CID21322789
Molecular FormulaC3H3Cl2N3O3P+
Molecular Weight230.96 g/mol
Exact Mass229.93
IUPAC Name2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium
SMILESClc1ncnc(Cl)n1.O=[P+](O)O
InChIInChI=1S/C3HCl2N3.HO3P/c4-2-6-1-7-3(5)8-2;1-4(2)3/h1H;(H-,1,2,3)/p+1
InChIKeyQOYIHTYWRTZROY-UHFFFAOYSA-O
XLogP0.81
TPSA96.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.96
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium?
The IUPAC name of 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium (CID 21322789) is 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium?
The canonical SMILES for 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium is Clc1ncnc(Cl)n1.O=[P+](O)O.
What is the InChIKey of 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium?
The InChIKey is QOYIHTYWRTZROY-UHFFFAOYSA-O. The full InChI is InChI=1S/C3HCl2N3.HO3P/c4-2-6-1-7-3(5)8-2;1-4(2)3/h1H;(H-,1,2,3)/p+1.
What are the key properties of 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium?
2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium has a molecular weight of 230.96 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 21322789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).