1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C82H122N18O18 — CID 158649400

About 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 158649400) has the molecular formula C82H122N18O18 and a molecular weight of 1647.99 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 158649400
• Molecular Formula: C82H122N18O18
• Molecular Weight: 1647.99 g/mol
• Exact Mass: 1646.92
• IUPAC Name: 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCCCCCC)c1=O
• InChI: InChI=1S/C17H27N3O3.C15H23N3O3.C14H21N3O3.C13H19N3O3.C12H17N3O3.C11H15N3O3/c1-4-7-8-9-10-11-14-20-16(22)18(12-5-2)15(21)19(13-6-3)17(20)23;1-4-7-8-9-12-18-14(20)16(10-5-2)13(19)17(11-6-3)15(18)21;1-4-7-8-11-17-13(19)15(9-5-2)12(18)16(10-6-3)14(17)20;1-4-7-10-16-12(18)14(8-5-2)11(17)15(9-6-3)13(16)19;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;1-4-7-13-9(15)12(6-3)10(16)14(8-5-2)11(13)17/h5-6H,2-4,7-14H2,1H3;5-6H,2-4,7-12H2,1H3;5-6H,2-4,7-11H2,1H3;5-6H,2-4,7-10H2,1H3;4-5H,1-2,6-9H2,3H3;4-5H,1-2,6-8H2,3H3
• InChIKey: IBJASWDXZRQEGW-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 396.00 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 46
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1647.99
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 158649400) is 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCCCCCC)c1=O.

What is the InChIKey of 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The InChIKey is IBJASWDXZRQEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.C15H23N3O3.C14H21N3O3.C13H19N3O3.C12H17N3O3.C11H15N3O3/c1-4-7-8-9-10-11-14-20-16(22)18(12-5-2)15(21)19(13-6-3)17(20)23;1-4-7-8-9-12-18-14(20)16(10-5-2)13(19)17(11-6-3)15(18)21;1-4-7-8-11-17-13(19)15(9-5-2)12(18)16(10-6-3)14(17)20;1-4-7-10-16-12(18)14(8-5-2)11(17)15(9-6-3)13(16)19;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;1-4-7-13-9(15)12(6-3)10(16)14(8-5-2)11(13)17/h5-6H,2-4,7-14H2,1H3;5-6H,2-4,7-12H2,1H3;5-6H,2-4,7-11H2,1H3;5-6H,2-4,7-10H2,1H3;4-5H,1-2,6-9H2,3H3;4-5H,1-2,6-8H2,3H3.

What are the key properties of 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1647.99 g/mol, XLogP of 3.62, 46 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 158649400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).