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

C86H113N21O21 — CID 158698801

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

1,3-bis(but-3-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(but-3-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 158698801) has the molecular formula C86H113N21O21 and a molecular weight of 1776.98 g/mol. Its IUPAC name is 1,3-bis(but-3-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(but-3-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-bis(but-3-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(but-3-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 158698801
• Molecular Formula: C86H113N21O21
• Molecular Weight: 1776.98 g/mol
• Exact Mass: 1775.84
• IUPAC Name: 1,3-bis(but-3-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(but-3-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: C#CCn1c(=O)n(C)c(=O)n(CC#C)c1=O.C=C(C)Cn1c(=O)n(C)c(=O)n(CC(=C)C)c1=O.C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC(=C)C)c1=O.C=CCCn1c(=O)n(C)c(=O)n(CCC=C)c1=O.C=CCCn1c(=O)n(CCC=C)c(=O)n(CCC=C)c1=O.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
• InChI: InChI=1S/2C15H21N3O3.2C12H17N3O3.C12H15N3O3.C10H13N3O3.C10H9N3O3/c1-10(2)7-16-13(19)17(8-11(3)4)15(21)18(14(16)20)9-12(5)6;1-4-7-10-16-13(19)17(11-8-5-2)15(21)18(14(16)20)12-9-6-3;1-8(2)6-14-10(16)13(5)11(17)15(12(14)18)7-9(3)4;1-4-6-8-14-10(16)13(3)11(17)15(12(14)18)9-7-5-2;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;2*1-4-6-12-8(14)11(3)9(15)13(7-5-2)10(12)16/h1,3,5,7-9H2,2,4,6H3;4-6H,1-3,7-12H2;1,3,6-7H2,2,4-5H3;4-5H,1-2,6-9H2,3H3;4-6H,1-3,7-9H2;4-5H,1-2,6-7H2,3H3;1-2H,6-7H2,3H3
• InChIKey: IHGSPGWCDLNQFC-UHFFFAOYSA-N
• XLogP: -1.69
• TPSA: 462.00 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1776.98
LogP ≤ 5	-1.69
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-methyl-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(but-3-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3-bis(but-3-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(but-3-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 158698801) is 1,3-bis(but-3-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(but-3-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

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

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

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

The InChIKey is IHGSPGWCDLNQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21N3O3.2C12H17N3O3.C12H15N3O3.C10H13N3O3.C10H9N3O3/c1-10(2)7-16-13(19)17(8-11(3)4)15(21)18(14(16)20)9-12(5)6;1-4-7-10-16-13(19)17(11-8-5-2)15(21)18(14(16)20)12-9-6-3;1-8(2)6-14-10(16)13(5)11(17)15(12(14)18)7-9(3)4;1-4-6-8-14-10(16)13(3)11(17)15(12(14)18)9-7-5-2;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;2*1-4-6-12-8(14)11(3)9(15)13(7-5-2)10(12)16/h1,3,5,7-9H2,2,4,6H3;4-6H,1-3,7-12H2;1,3,6-7H2,2,4-5H3;4-5H,1-2,6-9H2,3H3;4-6H,1-3,7-9H2;4-5H,1-2,6-7H2,3H3;1-2H,6-7H2,3H3.

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

1,3-bis(but-3-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(but-3-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1776.98 g/mol, XLogP of -1.69, 37 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-methyl-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis(prop-2-ynyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(but-3-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 158698801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).