1-hexyl-1,3,5-triazinane-2,4,6-trione

C9H15N3O3 — CID 11042089

IUPAC1-hexyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCCCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-2-3-4-5-6-12-8(14)10-7(13)11-9(12)15/h2-6H2,1H3,(H2,10,11,13,14,15)
InChIKeyYKLAAFNAZWIDCJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.19
Rot. Bonds5

About 1-hexyl-1,3,5-triazinane-2,4,6-trione

1-hexyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 11042089) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-hexyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-hexyl-1,3,5-triazinane-2,4,6-trione
PubChem CID11042089
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name1-hexyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCCCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-2-3-4-5-6-12-8(14)10-7(13)11-9(12)15/h2-6H2,1H3,(H2,10,11,13,14,15)
InChIKeyYKLAAFNAZWIDCJ-UHFFFAOYSA-N
XLogP-0.19
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-hexyl-1,3,5-triazinane-2,4,6-trione (CID 11042089) is 1-hexyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-hexyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-hexyl-1,3,5-triazinane-2,4,6-trione is CCCCCCn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-hexyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is YKLAAFNAZWIDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-3-4-5-6-12-8(14)10-7(13)11-9(12)15/h2-6H2,1H3,(H2,10,11,13,14,15).
What are the key properties of 1-hexyl-1,3,5-triazinane-2,4,6-trione?
1-hexyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 213.24 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 11042089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).