1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

C10H15N3O3 — CID 23042184

IUPAC1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC)c(=O)n(CC)c1=O
InChIInChI=1S/C10H15N3O3/c1-4-7-13-9(15)11(5-2)8(14)12(6-3)10(13)16/h4H,1,5-7H2,2-3H3
InChIKeyHLBDABDVGFHHIL-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.60
Rot. Bonds4

About 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 23042184) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
PubChem CID23042184
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC)c(=O)n(CC)c1=O
InChIInChI=1S/C10H15N3O3/c1-4-7-13-9(15)11(5-2)8(14)12(6-3)10(13)16/h4H,1,5-7H2,2-3H3
InChIKeyHLBDABDVGFHHIL-UHFFFAOYSA-N
XLogP-0.60
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (CID 23042184) is 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC)c(=O)n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HLBDABDVGFHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-7-13-9(15)11(5-2)8(14)12(6-3)10(13)16/h4H,1,5-7H2,2-3H3.
What are the key properties of 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 225.25 g/mol, XLogP of -0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23042184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).