1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione

C15H27N3O3 — CID 617924

IUPAC1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O
InChIInChI=1S/C15H27N3O3/c1-4-7-10-16-13(19)17(11-8-5-2)15(21)18(14(16)20)12-9-6-3/h4-12H2,1-3H3
InChIKeyORUPFVWSNUWWGS-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.57
Rot. Bonds9

About 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione

1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 617924) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione
PubChem CID617924
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O
InChIInChI=1S/C15H27N3O3/c1-4-7-10-16-13(19)17(11-8-5-2)15(21)18(14(16)20)12-9-6-3/h4-12H2,1-3H3
InChIKeyORUPFVWSNUWWGS-UHFFFAOYSA-N
XLogP1.57
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione (CID 617924) is 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione is CCCCn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O.
What is the InChIKey of 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ORUPFVWSNUWWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-7-10-16-13(19)17(11-8-5-2)15(21)18(14(16)20)12-9-6-3/h4-12H2,1-3H3.
What are the key properties of 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione?
1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 297.40 g/mol, XLogP of 1.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tributyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 617924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).