1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione

C80H99N21O21 — CID 161016035

About 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione

1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 161016035) has the molecular formula C80H99N21O21 and a molecular weight of 1690.80 g/mol. Its IUPAC name is 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 161016035
• Molecular Formula: C80H99N21O21
• Molecular Weight: 1690.80 g/mol
• Exact Mass: 1689.73
• IUPAC Name: 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione
• SMILES: C#CCn1c(=O)n(CC)c(=O)n(CC#C)c1=O.C#Cn1c(=O)n(C#C)c(=O)n(CC)c1=O.C#Cn1c(=O)n(C#C)c(=O)n(CCC)c1=O.C=C(C)Cn1c(=O)n(CCC)c(=O)n(CC(=C)C)c1=O.C=CCCn1c(=O)n(CCC)c(=O)n(CCC=C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCC)c1=O.C=Cn1c(=O)n(C=C)c(=O)n(CCC)c1=O
• InChI: InChI=1S/2C14H21N3O3.C12H17N3O3.C11H11N3O3.C10H13N3O3.C10H9N3O3.C9H7N3O3/c1-6-7-15-12(18)16(8-10(2)3)14(20)17(13(15)19)9-11(4)5;1-4-7-10-16-12(18)15(9-6-3)13(19)17(14(16)20)11-8-5-2;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;2*1-4-7-13-9(15)11(5-2)8(14)12(6-3)10(13)16;1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h2,4,6-9H2,1,3,5H3;4-5H,1-2,6-11H2,3H3;4-5H,1-2,6-9H2,3H3;1-2H,6-8H2,3H3;5-6H,2-4,7H2,1H3;2-3H,4,7H2,1H3;1-2H,6H2,3H3
• InChIKey: TXSUOTYZNQVWAG-UHFFFAOYSA-N
• XLogP: -3.81
• TPSA: 462.00 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 30
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1690.80
LogP ≤ 5	-3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione (CID 161016035) is 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione is C#CCn1c(=O)n(CC)c(=O)n(CC#C)c1=O.C#Cn1c(=O)n(C#C)c(=O)n(CC)c1=O.C#Cn1c(=O)n(C#C)c(=O)n(CCC)c1=O.C=C(C)Cn1c(=O)n(CCC)c(=O)n(CC(=C)C)c1=O.C=CCCn1c(=O)n(CCC)c(=O)n(CCC=C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCC)c1=O.C=Cn1c(=O)n(C=C)c(=O)n(CCC)c1=O.

What is the InChIKey of 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione?

The InChIKey is TXSUOTYZNQVWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H21N3O3.C12H17N3O3.C11H11N3O3.C10H13N3O3.C10H9N3O3.C9H7N3O3/c1-6-7-15-12(18)16(8-10(2)3)14(20)17(13(15)19)9-11(4)5;1-4-7-10-16-12(18)15(9-6-3)13(19)17(14(16)20)11-8-5-2;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;2*1-4-7-13-9(15)11(5-2)8(14)12(6-3)10(13)16;1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h2,4,6-9H2,1,3,5H3;4-5H,1-2,6-11H2,3H3;4-5H,1-2,6-9H2,3H3;1-2H,6-8H2,3H3;5-6H,2-4,7H2,1H3;2-3H,4,7H2,1H3;1-2H,6H2,3H3.

What are the key properties of 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione?

1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1690.80 g/mol, XLogP of -3.81, 30 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(but-3-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(ethenyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(2-methylprop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 161016035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).