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

C9H15N3O3 — CID 15056723

IUPAC1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)[nH]c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C9H15N3O3/c1-5-11-6(13)10-7(14)12(8(11)15)9(2,3)4/h5H2,1-4H3,(H,10,13,14)
InChIKeyQGJIYCAGESWYFX-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.53
Rot. Bonds1

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

1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 15056723) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione
PubChem CID15056723
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)[nH]c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C9H15N3O3/c1-5-11-6(13)10-7(14)12(8(11)15)9(2,3)4/h5H2,1-4H3,(H,10,13,14)
InChIKeyQGJIYCAGESWYFX-UHFFFAOYSA-N
XLogP-0.53
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione (CID 15056723) is 1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)[nH]c(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is QGJIYCAGESWYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-5-11-6(13)10-7(14)12(8(11)15)9(2,3)4/h5H2,1-4H3,(H,10,13,14).
What are the key properties of 1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione?
1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 213.24 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15056723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).