4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium

C15H34N3O8P3+2 — CID 159722237

IUPAC4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium
SMILESCCC1(CC)N=NNC(CC)(CC)C1(CC)CC.O=[P+](O)OP(=O)(O)O[P+](=O)O
InChIInChI=1S/C15H31N3.HO8P3/c1-7-13(8-2)14(9-3,10-4)16-18-17-15(13,11-5)12-6;1-9(2)7-11(5,6)8-10(3)4/h7-12H2,1-6H3,(H,16,17);(H-2,1,2,3,4,5,6)/p+2
InChIKeyLBYXTBBPYAVAOO-UHFFFAOYSA-P
MW477.37 g/mol
LogP5.30
Rot. Bonds10

About 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium

4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium (PubChem CID 159722237) has the molecular formula C15H34N3O8P3+2 and a molecular weight of 477.37 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium.

Molecular Properties

Compound Name4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium
PubChem CID159722237
Molecular FormulaC15H34N3O8P3+2
Molecular Weight477.37 g/mol
Exact Mass477.15
IUPAC Name4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium
SMILESCCC1(CC)N=NNC(CC)(CC)C1(CC)CC.O=[P+](O)OP(=O)(O)O[P+](=O)O
InChIInChI=1S/C15H31N3.HO8P3/c1-7-13(8-2)14(9-3,10-4)16-18-17-15(13,11-5)12-6;1-9(2)7-11(5,6)8-10(3)4/h7-12H2,1-6H3,(H,16,17);(H-2,1,2,3,4,5,6)/p+2
InChIKeyLBYXTBBPYAVAOO-UHFFFAOYSA-P
XLogP5.30
TPSA167.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.37
LogP ≤ 55.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium 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 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium?
The IUPAC name of 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium (CID 159722237) is 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium.
What is the SMILES notation for 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium?
The canonical SMILES for 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium is CCC1(CC)N=NNC(CC)(CC)C1(CC)CC.O=[P+](O)OP(=O)(O)O[P+](=O)O.
What is the InChIKey of 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium?
The InChIKey is LBYXTBBPYAVAOO-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H31N3.HO8P3/c1-7-13(8-2)14(9-3,10-4)16-18-17-15(13,11-5)12-6;1-9(2)7-11(5,6)8-10(3)4/h7-12H2,1-6H3,(H,16,17);(H-2,1,2,3,4,5,6)/p+2.
What are the key properties of 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium?
4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium has a molecular weight of 477.37 g/mol, XLogP of 5.30, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexaethyl-1H-triazine;hydroxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium is sourced from PubChem (CID 159722237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).