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

C87H118N24O24 — CID 159651781

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

1,3-bis(but-3-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(2-methylprop-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-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 159651781) has the molecular formula C87H118N24O24 and a molecular weight of 1884.04 g/mol. Its IUPAC name is 1,3-bis(but-3-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(2-methylprop-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-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis(but-3-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(2-methylprop-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-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 159651781
• Molecular Formula: C87H118N24O24
• Molecular Weight: 1884.04 g/mol
• Exact Mass: 1882.88
• IUPAC Name: 1,3-bis(but-3-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(2-methylprop-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-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione
• SMILES: C#CCn1c(=O)n(CC)c(=O)n(CC)c1=O.C#Cn1c(=O)n(C#C)c(=O)n(CC)c1=O.C#Cn1c(=O)n(CC)c(=O)n(CC)c1=O.C=C(C)Cn1c(=O)n(CC)c(=O)n(CC(=C)C)c1=O.C=C(C)Cn1c(=O)n(CC)c(=O)n(CC)c1=O.C=CCCn1c(=O)n(CC)c(=O)n(CC)c1=O.C=CCCn1c(=O)n(CC)c(=O)n(CCC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O
• InChI: InChI=1S/2C13H19N3O3.2C11H17N3O3.C11H15N3O3.C10H13N3O3.C9H11N3O3.C9H7N3O3/c1-6-14-11(17)15(7-9(2)3)13(19)16(12(14)18)8-10(4)5;1-4-7-9-15-11(17)14(6-3)12(18)16(13(15)19)10-8-5-2;1-5-12-9(15)13(6-2)11(17)14(10(12)16)7-8(3)4;1-4-7-8-14-10(16)12(5-2)9(15)13(6-3)11(14)17;1-4-7-13-9(15)12(6-3)10(16)14(8-5-2)11(13)17;1-4-7-13-9(15)11(5-2)8(14)12(6-3)10(13)16;2*1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h2,4,6-8H2,1,3,5H3;4-5H,1-2,6-10H2,3H3;3,5-7H2,1-2,4H3;4H,1,5-8H2,2-3H3;4-5H,1-2,6-8H2,3H3;1H,5-7H2,2-3H3;1H,5-6H2,2-3H3;1-2H,6H2,3H3
• InChIKey: MRQWFFHZFXXKIQ-UHFFFAOYSA-N
• XLogP: -4.61
• TPSA: 528.00 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 32
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1884.04
LogP ≤ 5	-4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

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

The IUPAC name of 1,3-bis(but-3-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(2-methylprop-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-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione (CID 159651781) is 1,3-bis(but-3-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(2-methylprop-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-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-ethyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(2-methylprop-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-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione?

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

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

The InChIKey is MRQWFFHZFXXKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19N3O3.2C11H17N3O3.C11H15N3O3.C10H13N3O3.C9H11N3O3.C9H7N3O3/c1-6-14-11(17)15(7-9(2)3)13(19)16(12(14)18)8-10(4)5;1-4-7-9-15-11(17)14(6-3)12(18)16(13(15)19)10-8-5-2;1-5-12-9(15)13(6-2)11(17)14(10(12)16)7-8(3)4;1-4-7-8-14-10(16)12(5-2)9(15)13(6-3)11(14)17;1-4-7-13-9(15)12(6-3)10(16)14(8-5-2)11(13)17;1-4-7-13-9(15)11(5-2)8(14)12(6-3)10(13)16;2*1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h2,4,6-8H2,1,3,5H3;4-5H,1-2,6-10H2,3H3;3,5-7H2,1-2,4H3;4H,1,5-8H2,2-3H3;4-5H,1-2,6-8H2,3H3;1H,5-7H2,2-3H3;1H,5-6H2,2-3H3;1-2H,6H2,3H3.

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

1,3-bis(but-3-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(2-methylprop-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-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1884.04 g/mol, XLogP of -4.61, 32 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(but-3-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-diethyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(2-methylprop-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-ethyl-3,5-diethynyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 159651781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).