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

C96H132N24O24 — CID 157323409

About 1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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 157323409) has the molecular formula C96H132N24O24 and a molecular weight of 2006.26 g/mol. Its IUPAC name is 1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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: 157323409
• Molecular Formula: C96H132N24O24
• Molecular Weight: 2006.26 g/mol
• Exact Mass: 2004.98
• IUPAC Name: 1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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(CCC)c(=O)n(CCC)c1=O.C#Cn1c(=O)n(C#C)c(=O)n(CCC)c1=O.C#Cn1c(=O)n(CCC)c(=O)n(CCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCC)c1=O.C=CCn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O.C=Cn1c(=O)n(C=C)c(=O)n(CCCC)c1=O.C=Cn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O
• InChI: InChI=1S/C14H23N3O3.C13H21N3O3.C13H19N3O3.C12H17N3O3.C12H13N3O3.2C11H15N3O3.C10H9N3O3/c1-4-7-10-16-12(18)15(9-6-3)13(19)17(14(16)20)11-8-5-2;1-4-7-9-15-11(17)14(6-3)12(18)16(13(15)19)10-8-5-2;1-4-7-10-16-12(18)14(8-5-2)11(17)15(9-6-3)13(16)19;2*1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;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/h6H,3-5,7-11H2,1-2H3;6H,3-5,7-10H2,1-2H3;5-6H,2-4,7-10H2,1H3;1H,5-9H2,2-3H3;1-2H,6-9H2,3H3;5-6H,2-4,7-8H2,1H3;3H,4-5,7-8H2,1-2H3;2-3H,4,7H2,1H3
• InChIKey: BEKZSBAFZFDWIZ-UHFFFAOYSA-N
• XLogP: -1.29
• TPSA: 528.00 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 42
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2006.26
LogP ≤ 5	-1.29
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-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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 157323409) is 1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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(CCC)c(=O)n(CCC)c1=O.C#Cn1c(=O)n(C#C)c(=O)n(CCC)c1=O.C#Cn1c(=O)n(CCC)c(=O)n(CCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CCCC)c1=O.C=CCn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O.C=Cn1c(=O)n(C=C)c(=O)n(CCCC)c1=O.C=Cn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O.

What is the InChIKey of 1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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 BEKZSBAFZFDWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3.C13H21N3O3.C13H19N3O3.C12H17N3O3.C12H13N3O3.2C11H15N3O3.C10H9N3O3/c1-4-7-10-16-12(18)15(9-6-3)13(19)17(14(16)20)11-8-5-2;1-4-7-9-15-11(17)14(6-3)12(18)16(13(15)19)10-8-5-2;1-4-7-10-16-12(18)14(8-5-2)11(17)15(9-6-3)13(16)19;2*1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;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/h6H,3-5,7-11H2,1-2H3;6H,3-5,7-10H2,1-2H3;5-6H,2-4,7-10H2,1H3;1H,5-9H2,2-3H3;1-2H,6-9H2,3H3;5-6H,2-4,7-8H2,1H3;3H,4-5,7-8H2,1-2H3;2-3H,4,7H2,1H3.

What are the key properties of 1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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 2006.26 g/mol, XLogP of -1.29, 42 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3,5-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-ethenyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1,3-diethynyl-5-propyl-1,3,5-triazinane-2,4,6-trione;1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione;1-ethynyl-3,5-dipropyl-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 157323409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).