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

C12H15N3O3 — CID 13931

IUPAC1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
InChIKeyKOMNUTZXSVSERR-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.27
Rot. Bonds6

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

1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 13931) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID13931
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
InChIKeyKOMNUTZXSVSERR-UHFFFAOYSA-N
XLogP-0.27
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diallyl Isocyanurate
CID 94974
Cambridge id 5180493
CID 2179826
Diallyl Propyl Isocyanurate (stabilized with BHT)
CID 12612564
1,3-Diallyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 15322697
Buta-1,3-diene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 44148608
Allyldimethyliso cyanurate
CID 15322699
Ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 143745454
1,3,5-Tris(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 13761107
1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
CID 21257257
1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
CID 21257259
1-(Prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione
CID 22250746
1-(1-Fluoroprop-2-enyl)-3-(1,1,2,3,3-pentafluoroprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 53817058

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 13931) is 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O.
What is the InChIKey of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is KOMNUTZXSVSERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2.
What are the key properties of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 249.27 g/mol, XLogP of -0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 13931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).