1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione

C77H93N21O21 — CID 159339844

About 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione

1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 159339844) has the molecular formula C77H93N21O21 and a molecular weight of 1648.72 g/mol. Its IUPAC name is 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 159339844
• Molecular Formula: C77H93N21O21
• Molecular Weight: 1648.72 g/mol
• Exact Mass: 1647.69
• IUPAC Name: 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: C#CCn1c(=O)n(C)c(=O)n(CC#C)c1=O.C#CCn1c(=O)n(CC#C)c(=O)n(CC#C)c1=O.C#Cn1c(=O)n(C#C)c(=O)n(C#C)c1=O.C=C(C)CN1C(=O)N(CC)C(=O)N(CC(=C)C)C1O.C=CCCN1C(=O)N(CC)C(=O)N(CCC=C)C1O.C=CCN1C(=O)N(CC)C(=O)N(CC=C)C1O.C=CN1C(=O)N(CC)C(=O)N(C=C)C1O
• InChI: InChI=1S/2C13H21N3O3.C12H9N3O3.C11H17N3O3.C10H9N3O3.C9H13N3O3.C9H3N3O3/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;1-4-7-13-10(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;1-4-6-12-8(14)11(3)9(15)13(7-5-2)10(12)16;2*1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h13,19H,2,4,6-8H2,1,3,5H3;4-5,13,19H,1-2,6-10H2,3H3;1-3H,7-9H2;4-5,11,17H,1-2,6-8H2,3H3;1-2H,6-7H2,3H3;4-5,7,13H,1-2,6H2,3H3;1-3H
• InChIKey: LFZRSLNCDLHINI-UHFFFAOYSA-N
• XLogP: -1.73
• TPSA: 454.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1648.72
LogP ≤ 5	-1.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

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 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione (CID 159339844) is 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione.

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

The canonical SMILES for 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione is C#CCn1c(=O)n(C)c(=O)n(CC#C)c1=O.C#CCn1c(=O)n(CC#C)c(=O)n(CC#C)c1=O.C#Cn1c(=O)n(C#C)c(=O)n(C#C)c1=O.C=C(C)CN1C(=O)N(CC)C(=O)N(CC(=C)C)C1O.C=CCCN1C(=O)N(CC)C(=O)N(CCC=C)C1O.C=CCN1C(=O)N(CC)C(=O)N(CC=C)C1O.C=CN1C(=O)N(CC)C(=O)N(C=C)C1O.

What is the InChIKey of 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione?

The InChIKey is LFZRSLNCDLHINI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3O3.C12H9N3O3.C11H17N3O3.C10H9N3O3.C9H13N3O3.C9H3N3O3/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;1-4-7-13-10(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;1-4-6-12-8(14)11(3)9(15)13(7-5-2)10(12)16;2*1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h13,19H,2,4,6-8H2,1,3,5H3;4-5,13,19H,1-2,6-10H2,3H3;1-3H,7-9H2;4-5,11,17H,1-2,6-8H2,3H3;1-2H,6-7H2,3H3;4-5,7,13H,1-2,6H2,3H3;1-3H.

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

1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1648.72 g/mol, XLogP of -1.73, 25 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-bis(but-3-enyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;1,5-bis(ethenyl)-3-ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4-dione;3-ethyl-6-hydroxy-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-triethynyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 159339844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).