1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione

C11H19N3O3 — CID 70667200

IUPAC1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(CC)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C11H19N3O3/c1-6-12-8(15)13(7-2)10(17)14(9(12)16)11(3,4)5/h6-7H2,1-5H3
InChIKeyZMBMNEVDILSGTC-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.03
Rot. Bonds2

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

1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 70667200) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione
PubChem CID70667200
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(CC)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C11H19N3O3/c1-6-12-8(15)13(7-2)10(17)14(9(12)16)11(3,4)5/h6-7H2,1-5H3
InChIKeyZMBMNEVDILSGTC-UHFFFAOYSA-N
XLogP-0.03
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione (CID 70667200) is 1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)n(CC)c(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ZMBMNEVDILSGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-6-12-8(15)13(7-2)10(17)14(9(12)16)11(3,4)5/h6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione?
1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 241.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 70667200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).