1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione

C35H48N18O18 — CID 158017403

About 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione

1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 158017403) has the molecular formula C35H48N18O18 and a molecular weight of 1008.88 g/mol. Its IUPAC name is 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 158017403
• Molecular Formula: C35H48N18O18
• Molecular Weight: 1008.88 g/mol
• Exact Mass: 1008.34
• IUPAC Name: 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione
• SMILES: C=CCCn1c(=O)[nH]c(=O)[nH]c1=O.C=CCn1c(=O)[nH]c(=O)[nH]c1=O.CCCCn1c(=O)[nH]c(=O)[nH]c1=O.CCCn1c(=O)[nH]c(=O)[nH]c1=O.CCn1c(=O)[nH]c(=O)[nH]c1=O.Cn1c(=O)[nH]c(=O)[nH]c1=O
• InChI: InChI=1S/C7H11N3O3.C7H9N3O3.C6H9N3O3.C6H7N3O3.C5H7N3O3.C4H5N3O3/c2*1-2-3-4-10-6(12)8-5(11)9-7(10)13;2*1-2-3-9-5(11)7-4(10)8-6(9)12;1-2-8-4(10)6-3(9)7-5(8)11;1-7-3(9)5-2(8)6-4(7)10/h2-4H2,1H3,(H2,8,9,11,12,13);2H,1,3-4H2,(H2,8,9,11,12,13);2-3H2,1H3,(H2,7,8,10,11,12);2H,1,3H2,(H2,7,8,10,11,12);2H2,1H3,(H2,6,7,9,10,11);1H3,(H2,5,6,8,9,10)
• InChIKey: FFQHDKUMMHUNGZ-UHFFFAOYSA-N
• XLogP: -9.12
• TPSA: 526.32 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1008.88
LogP ≤ 5	-9.12
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione (CID 158017403) is 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione is C=CCCn1c(=O)[nH]c(=O)[nH]c1=O.C=CCn1c(=O)[nH]c(=O)[nH]c1=O.CCCCn1c(=O)[nH]c(=O)[nH]c1=O.CCCn1c(=O)[nH]c(=O)[nH]c1=O.CCn1c(=O)[nH]c(=O)[nH]c1=O.Cn1c(=O)[nH]c(=O)[nH]c1=O.

What is the InChIKey of 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione?

The InChIKey is FFQHDKUMMHUNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3.C7H9N3O3.C6H9N3O3.C6H7N3O3.C5H7N3O3.C4H5N3O3/c2*1-2-3-4-10-6(12)8-5(11)9-7(10)13;2*1-2-3-9-5(11)7-4(10)8-6(9)12;1-2-8-4(10)6-3(9)7-5(8)11;1-7-3(9)5-2(8)6-4(7)10/h2-4H2,1H3,(H2,8,9,11,12,13);2H,1,3-4H2,(H2,8,9,11,12,13);2-3H2,1H3,(H2,7,8,10,11,12);2H,1,3H2,(H2,7,8,10,11,12);2H2,1H3,(H2,6,7,9,10,11);1H3,(H2,5,6,8,9,10).

What are the key properties of 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione?

1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1008.88 g/mol, XLogP of -9.12, 11 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-but-3-enyl-1,3,5-triazinane-2,4,6-trione;1-butyl-1,3,5-triazinane-2,4,6-trione;1-ethyl-1,3,5-triazinane-2,4,6-trione;1-methyl-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;1-propyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 158017403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).