1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione

C8H13N3O3 — CID 59728552

IUPAC1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(C)c(=O)n(CC)c1=O
InChIInChI=1S/C8H13N3O3/c1-4-10-6(12)9(3)7(13)11(5-2)8(10)14/h4-5H2,1-3H3
InChIKeyLETDGJAPXGOHMT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.25
Rot. Bonds2

About 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione

1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 59728552) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID59728552
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(C)c(=O)n(CC)c1=O
InChIInChI=1S/C8H13N3O3/c1-4-10-6(12)9(3)7(13)11(5-2)8(10)14/h4-5H2,1-3H3
InChIKeyLETDGJAPXGOHMT-UHFFFAOYSA-N
XLogP-1.25
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 59728552) is 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)n(C)c(=O)n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is LETDGJAPXGOHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-4-10-6(12)9(3)7(13)11(5-2)8(10)14/h4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 199.21 g/mol, XLogP of -1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59728552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).