1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

C12H19N3O5 — CID 138624759

IUPAC1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O
InChIInChI=1S/C12H19N3O5/c1-4-5-13-10(16)14(6-8-19-2)12(18)15(11(13)17)7-9-20-3/h4H,1,5-9H2,2-3H3
InChIKeyFGERLCAAVGIAAA-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.35
Rot. Bonds8

About 1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 138624759) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
PubChem CID138624759
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O
InChIInChI=1S/C12H19N3O5/c1-4-5-13-10(16)14(6-8-19-2)12(18)15(11(13)17)7-9-20-3/h4H,1,5-9H2,2-3H3
InChIKeyFGERLCAAVGIAAA-UHFFFAOYSA-N
XLogP-1.35
TPSA84.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (CID 138624759) is 1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O.
What is the InChIKey of 1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FGERLCAAVGIAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-4-5-13-10(16)14(6-8-19-2)12(18)15(11(13)17)7-9-20-3/h4H,1,5-9H2,2-3H3.
What are the key properties of 1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 285.30 g/mol, XLogP of -1.35, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 138624759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).