1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione

C14H20N3O2P — CID 101046524

IUPAC1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione
SMILESCCN1C(=O)N(CC)P(c2ccccc2)N(CC)C1=O
InChIInChI=1S/C14H20N3O2P/c1-4-15-13(18)16(5-2)20(17(6-3)14(15)19)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyITBHICBVOKPWKS-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.84
Rot. Bonds4

About 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione

1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione (PubChem CID 101046524) has the molecular formula C14H20N3O2P and a molecular weight of 293.31 g/mol. Its IUPAC name is 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione.

Molecular Properties

Compound Name1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione
PubChem CID101046524
Molecular FormulaC14H20N3O2P
Molecular Weight293.31 g/mol
Exact Mass293.13
IUPAC Name1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione
SMILESCCN1C(=O)N(CC)P(c2ccccc2)N(CC)C1=O
InChIInChI=1S/C14H20N3O2P/c1-4-15-13(18)16(5-2)20(17(6-3)14(15)19)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyITBHICBVOKPWKS-UHFFFAOYSA-N
XLogP2.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione
CID 387100
1,3-Diallyl-5-[3-(diphenylphosphino)propyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione
CID 14953667
1-[[Phenyl-[[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]methyl]phosphoryl]methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 3839026
1-{[(Chloromethyl)(phenyl)phosphoryl]methyl}-3,5-di(prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione
CID 3892982
Benzene;1,3-dimethyl-1,3-diazinan-2-one
CID 70209375
CID 153322096
CID 153322096
Benzene;carbanide;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione;tungsten
CID 157396322
Benzene;ethane;1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione
CID 157613970
1-[[Chloromethyl(phenyl)phosphoryl]methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 11894537
1-[[Chloromethyl(phenyl)phosphoryl]methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 11894538
1-(2-Diphenylphosphanylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848106
1-(4-Diphenylphosphanylbutyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848107

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione?
The IUPAC name of 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione (CID 101046524) is 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione.
What is the SMILES notation for 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione?
The canonical SMILES for 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione is CCN1C(=O)N(CC)P(c2ccccc2)N(CC)C1=O.
What is the InChIKey of 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione?
The InChIKey is ITBHICBVOKPWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N3O2P/c1-4-15-13(18)16(5-2)20(17(6-3)14(15)19)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione?
1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione has a molecular weight of 293.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyl-2-phenyl-1,3,5,2-triazaphosphinane-4,6-dione is sourced from PubChem (CID 101046524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).