1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione

C5H9N3O3 — CID 54518891

IUPAC1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione
SMILESCCN1C(=O)NC(=O)NC1O
InChIInChI=1S/C5H9N3O3/c1-2-8-4(10)6-3(9)7-5(8)11/h4,10H,2H2,1H3,(H2,6,7,9,11)
InChIKeyYOJALBYDEXAOFN-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.98
Rot. Bonds1

About 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione

1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione (PubChem CID 54518891) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione
PubChem CID54518891
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione
SMILESCCN1C(=O)NC(=O)NC1O
InChIInChI=1S/C5H9N3O3/c1-2-8-4(10)6-3(9)7-5(8)11/h4,10H,2H2,1H3,(H2,6,7,9,11)
InChIKeyYOJALBYDEXAOFN-UHFFFAOYSA-N
XLogP-0.98
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione (CID 54518891) is 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione is CCN1C(=O)NC(=O)NC1O.
What is the InChIKey of 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
The InChIKey is YOJALBYDEXAOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c1-2-8-4(10)6-3(9)7-5(8)11/h4,10H,2H2,1H3,(H2,6,7,9,11).
What are the key properties of 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione has a molecular weight of 159.14 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 54518891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).