benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten

C22H45N3O3W-4 — CID 157396322

IUPACbenzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten
SMILESCC.CC.CC.Cn1c(=O)n(C)c(=O)n(C)c1=O.[CH3-].[CH3-].[CH3-].[CH3-].[W].c1ccccc1
InChIInChI=1S/C6H9N3O3.C6H6.3C2H6.4CH3.W/c1-7-4(10)8(2)6(12)9(3)5(7)11;1-2-4-6-5-3-1;3*1-2;;;;;/h1-3H3;1-6H;3*1-2H3;4*1H3;/q;;;;;4*-1;
InChIKeyBHUQUCYYEGLDRP-UHFFFAOYSA-N
MW583.46 g/mol
LogP4.35
Rot. Bonds

About benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten

benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten (PubChem CID 157396322) has the molecular formula C22H45N3O3W-4 and a molecular weight of 583.46 g/mol. Its IUPAC name is benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten.

Molecular Properties

Compound Namebenzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten
PubChem CID157396322
Molecular FormulaC22H45N3O3W-4
Molecular Weight583.46 g/mol
Exact Mass583.30
IUPAC Namebenzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten
SMILESCC.CC.CC.Cn1c(=O)n(C)c(=O)n(C)c1=O.[CH3-].[CH3-].[CH3-].[CH3-].[W].c1ccccc1
InChIInChI=1S/C6H9N3O3.C6H6.3C2H6.4CH3.W/c1-7-4(10)8(2)6(12)9(3)5(7)11;1-2-4-6-5-3-1;3*1-2;;;;;/h1-3H3;1-6H;3*1-2H3;4*1H3;/q;;;;;4*-1;
InChIKeyBHUQUCYYEGLDRP-UHFFFAOYSA-N
XLogP4.35
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten with MolForge

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

Launch Full Analysis

Related Compounds

1,3,5-Trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione
CID 387100
Benzene;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione
CID 157613970
Benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea
CID 174793875
1,3-Bis[[[4-[dimethyl(prop-1-en-2-yl)silyl]phenyl]-dimethylsilyl]methyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 177125291
1,3,5-Triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione
CID 101046524

Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten?
The IUPAC name of benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten (CID 157396322) is benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten.
What is the SMILES notation for benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten?
The canonical SMILES for benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten is CC.CC.CC.Cn1c(=O)n(C)c(=O)n(C)c1=O.[CH3-].[CH3-].[CH3-].[CH3-].[W].c1ccccc1.
What is the InChIKey of benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten?
The InChIKey is BHUQUCYYEGLDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3.C6H6.3C2H6.4CH3.W/c1-7-4(10)8(2)6(12)9(3)5(7)11;1-2-4-6-5-3-1;3*1-2;;;;;/h1-3H3;1-6H;3*1-2H3;4*1H3;/q;;;;;4*-1;.
What are the key properties of benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten?
benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten has a molecular weight of 583.46 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten is sourced from PubChem (CID 157396322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).