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

C5H9N3O2 — CID 13248199

IUPAC1-ethyl-1,3,5-triazinane-2,4-dione
SMILESCCN1CNC(=O)NC1=O
InChIInChI=1S/C5H9N3O2/c1-2-8-3-6-4(9)7-5(8)10/h2-3H2,1H3,(H2,6,7,9,10)
InChIKeyJSSARRKQIIWPFC-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.30
Rot. Bonds1

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

1-ethyl-1,3,5-triazinane-2,4-dione (PubChem CID 13248199) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1-ethyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-1,3,5-triazinane-2,4-dione
PubChem CID13248199
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name1-ethyl-1,3,5-triazinane-2,4-dione
SMILESCCN1CNC(=O)NC1=O
InChIInChI=1S/C5H9N3O2/c1-2-8-3-6-4(9)7-5(8)10/h2-3H2,1H3,(H2,6,7,9,10)
InChIKeyJSSARRKQIIWPFC-UHFFFAOYSA-N
XLogP-0.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-ethyl-1,3,5-triazinane-2,4-dione (CID 13248199) is 1-ethyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-ethyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-ethyl-1,3,5-triazinane-2,4-dione is CCN1CNC(=O)NC1=O.
What is the InChIKey of 1-ethyl-1,3,5-triazinane-2,4-dione?
The InChIKey is JSSARRKQIIWPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-2-8-3-6-4(9)7-5(8)10/h2-3H2,1H3,(H2,6,7,9,10).
What are the key properties of 1-ethyl-1,3,5-triazinane-2,4-dione?
1-ethyl-1,3,5-triazinane-2,4-dione has a molecular weight of 143.15 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 13248199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).