1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione

C8H13N3O4 — CID 118650572

IUPAC1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)(CCO)n1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-8(2,3-4-12)11-6(14)9-5(13)10-7(11)15/h12H,3-4H2,1-2H3,(H2,9,10,13,14,15)
InChIKeySXEIZBFTTARIAO-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.66
Rot. Bonds3

About 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione

1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 118650572) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione
PubChem CID118650572
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)(CCO)n1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-8(2,3-4-12)11-6(14)9-5(13)10-7(11)15/h12H,3-4H2,1-2H3,(H2,9,10,13,14,15)
InChIKeySXEIZBFTTARIAO-UHFFFAOYSA-N
XLogP-1.66
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione (CID 118650572) is 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione is CC(C)(CCO)n1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SXEIZBFTTARIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-8(2,3-4-12)11-6(14)9-5(13)10-7(11)15/h12H,3-4H2,1-2H3,(H2,9,10,13,14,15).
What are the key properties of 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione?
1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 215.21 g/mol, XLogP of -1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 118650572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).