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

C90H119N21O21 — CID 160757491

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

1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(2-methylprop-2-enyl)-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-butyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione;1-propyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 160757491) has the molecular formula C90H119N21O21 and a molecular weight of 1831.07 g/mol. Its IUPAC name is 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(2-methylprop-2-enyl)-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-butyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione;1-propyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(2-methylprop-2-enyl)-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-butyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione;1-propyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 160757491
• Molecular Formula: C90H119N21O21
• Molecular Weight: 1831.07 g/mol
• Exact Mass: 1829.89
• IUPAC Name: 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(2-methylprop-2-enyl)-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-butyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione;1-propyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: 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#Cn1c(=O)n(C#C)c(=O)n(CCCC)c1=O.C=C(C)Cn1c(=O)n(CCCC)c(=O)n(CC(=C)C)c1=O.C=CCCn1c(=O)n(CCC=C)c(=O)n(CCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCC)c1=O.C=Cn1c(=O)n(C=C)c(=O)n(CCCC)c1=O
• InChI: InChI=1S/2C15H23N3O3.C13H19N3O3.C13H15N3O3.C12H13N3O3.C11H15N3O3.C11H11N3O3/c1-6-7-8-16-13(19)17(9-11(2)3)15(21)18(14(16)20)10-12(4)5;1-4-7-10-16-13(19)17(11-8-5-2)15(21)18(14(16)20)12-9-6-3;2*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;2*1-4-7-8-14-10(16)12(5-2)9(15)13(6-3)11(14)17/h2,4,6-10H2,1,3,5H3;4-5H,1-2,6-12H2,3H3;5-6H,2-4,7-10H2,1H3;2-3H,4,7-10H2,1H3;1-2H,6-9H2,3H3;5-6H,2-4,7-8H2,1H3;2-3H,4,7-8H2,1H3
• InChIKey: RXPWCNXHRPKRJB-UHFFFAOYSA-N
• XLogP: -0.30
• TPSA: 462.00 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 40
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1831.07
LogP ≤ 5	-0.30
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-butyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(2-methylprop-2-enyl)-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-butyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione;1-propyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(2-methylprop-2-enyl)-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-butyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione;1-propyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione (CID 160757491) is 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(2-methylprop-2-enyl)-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-butyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione;1-propyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione.

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

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

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

The InChIKey is RXPWCNXHRPKRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H23N3O3.C13H19N3O3.C13H15N3O3.C12H13N3O3.C11H15N3O3.C11H11N3O3/c1-6-7-8-16-13(19)17(9-11(2)3)15(21)18(14(16)20)10-12(4)5;1-4-7-10-16-13(19)17(11-8-5-2)15(21)18(14(16)20)12-9-6-3;2*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;2*1-4-7-8-14-10(16)12(5-2)9(15)13(6-3)11(14)17/h2,4,6-10H2,1,3,5H3;4-5H,1-2,6-12H2,3H3;5-6H,2-4,7-10H2,1H3;2-3H,4,7-10H2,1H3;1-2H,6-9H2,3H3;5-6H,2-4,7-8H2,1H3;2-3H,4,7-8H2,1H3.

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

1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(2-methylprop-2-enyl)-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-butyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione;1-propyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1831.07 g/mol, XLogP of -0.30, 40 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-butyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(2-methylprop-2-enyl)-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-butyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione;1-propyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 160757491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).