1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione

C9H15N3O4 — CID 15307684

IUPAC1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(CC)c(=O)n(CCO)c1=O
InChIInChI=1S/C9H15N3O4/c1-3-10-7(14)11(4-2)9(16)12(5-6-13)8(10)15/h13H,3-6H2,1-2H3
InChIKeyKWHUTBGSZDPXNV-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.80
Rot. Bonds4

About 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione

1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 15307684) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID15307684
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(CC)c(=O)n(CCO)c1=O
InChIInChI=1S/C9H15N3O4/c1-3-10-7(14)11(4-2)9(16)12(5-6-13)8(10)15/h13H,3-6H2,1-2H3
InChIKeyKWHUTBGSZDPXNV-UHFFFAOYSA-N
XLogP-1.80
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 15307684) is 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)n(CC)c(=O)n(CCO)c1=O.
What is the InChIKey of 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is KWHUTBGSZDPXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-3-10-7(14)11(4-2)9(16)12(5-6-13)8(10)15/h13H,3-6H2,1-2H3.
What are the key properties of 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 229.24 g/mol, XLogP of -1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15307684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).