1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione — IUPAC name, SMILES, InChIKey & properties

Name: 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-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-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 158112914) has the molecular formula C73H115N15O15 and a molecular weight of 1442.81 g/mol. Its IUPAC name is 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-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-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID	158112914
Molecular Formula	C73H115N15O15
Molecular Weight	1442.81 g/mol
Exact Mass	1441.87
IUPAC Name	1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILES	C#Cn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O.C=C(C)Cn1c(=O)n(CCCC)c(=O)n(CC(=C)C)c1=O.C=C(C)Cn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O.C=CCCn1c(=O)n(CCC=C)c(=O)n(CCCC)c1=O.C=CCCn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O
InChI	InChI=1S/C15H23N3O3.2C15H25N3O3.C15H23N3O3.C13H19N3O3/c1-6-7-8-16-13(19)17(9-11(2)3)15(21)18(14(16)20)10-12(4)5;1-5-7-9-16-13(19)17(10-8-6-2)15(21)18(14(16)20)11-12(3)4;2*1-4-7-10-16-13(19)17(11-8-5-2)15(21)18(14(16)20)12-9-6-3;1-4-7-9-15-11(17)14(6-3)12(18)16(13(15)19)10-8-5-2/h2,4,6-10H2,1,3,5H3;3,5-11H2,1-2,4H3;4H,1,5-12H2,2-3H3;4-5H,1-2,6-12H2,3H3;3H,4-5,7-10H2,1-2H3
InChIKey	FQQRYZMSMWFZMM-UHFFFAOYSA-N
XLogP	5.15
TPSA	330.00 Å²
H-Bond Donors
H-Bond Acceptors	30
Rotatable Bonds	39
Heavy Atoms	103
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.81
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-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-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 158112914) is 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-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-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-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-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C#Cn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O.C=C(C)Cn1c(=O)n(CCCC)c(=O)n(CC(=C)C)c1=O.C=C(C)Cn1c(=O)n(CCCC)c(=O)n(CCCC)c1=O.C=CCCn1c(=O)n(CCC=C)c(=O)n(CCCC)c1=O.C=CCCn1c(=O)n(CCCC)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-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

The InChIKey is FQQRYZMSMWFZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.2C15H25N3O3.C15H23N3O3.C13H19N3O3/c1-6-7-8-16-13(19)17(9-11(2)3)15(21)18(14(16)20)10-12(4)5;1-5-7-9-16-13(19)17(10-8-6-2)15(21)18(14(16)20)11-12(3)4;2*1-4-7-10-16-13(19)17(11-8-5-2)15(21)18(14(16)20)12-9-6-3;1-4-7-9-15-11(17)14(6-3)12(18)16(13(15)19)10-8-5-2/h2,4,6-10H2,1,3,5H3;3,5-11H2,1-2,4H3;4H,1,5-12H2,2-3H3;4-5H,1-2,6-12H2,3H3;3H,4-5,7-10H2,1-2H3.

What are the key properties of 1,3-bis(but-3-enyl)-5-butyl-1,3,5-triazinane-2,4,6-trione;1-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?

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-but-3-enyl-3,5-dibutyl-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;1,3-dibutyl-5-ethynyl-1,3,5-triazinane-2,4,6-trione;1,3-dibutyl-5-(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 158112914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).