1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione

C12H13N3O5 — CID 15495786

IUPAC1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CO)c(=O)n(Cc2ccccc2)c(=O)n1CO
InChIInChI=1S/C12H13N3O5/c16-7-14-10(18)13(6-9-4-2-1-3-5-9)11(19)15(8-17)12(14)20/h1-5,16-17H,6-8H2
InChIKeyPRDCKFTVASQLEL-UHFFFAOYSA-N
MW279.25 g/mol
LogP-1.88
Rot. Bonds4

About 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione

1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 15495786) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID15495786
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CO)c(=O)n(Cc2ccccc2)c(=O)n1CO
InChIInChI=1S/C12H13N3O5/c16-7-14-10(18)13(6-9-4-2-1-3-5-9)11(19)15(8-17)12(14)20/h1-5,16-17H,6-8H2
InChIKeyPRDCKFTVASQLEL-UHFFFAOYSA-N
XLogP-1.88
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione 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-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
3-benzyl-4-hydroxy-1-methylimidazol-2-one
CID 54237295
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
CID 131848742
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
(3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate
CID 91343351
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one
CID 11324666

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione (CID 15495786) is 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione is O=c1n(CO)c(=O)n(Cc2ccccc2)c(=O)n1CO.
What is the InChIKey of 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is PRDCKFTVASQLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c16-7-14-10(18)13(6-9-4-2-1-3-5-9)11(19)15(8-17)12(14)20/h1-5,16-17H,6-8H2.
What are the key properties of 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione?
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 279.25 g/mol, XLogP of -1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15495786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).