1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione

C13H23N3O4 — CID 142290124

IUPAC1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCCCCCCCCOCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H23N3O4/c1-2-3-4-5-6-7-8-9-20-10-16-12(18)14-11(17)15-13(16)19/h2-10H2,1H3,(H2,14,15,17,18,19)
InChIKeyDDMZPQFJDRFUTG-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.95
Rot. Bonds10

About 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione

1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 142290124) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID142290124
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCCCCCCCCOCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H23N3O4/c1-2-3-4-5-6-7-8-9-20-10-16-12(18)14-11(17)15-13(16)19/h2-10H2,1H3,(H2,14,15,17,18,19)
InChIKeyDDMZPQFJDRFUTG-UHFFFAOYSA-N
XLogP0.95
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-1,3,5-triazinane-2,4,6-trione;isocyanic acid
CID 172765496
1-(nonoxymethyl)pyrazolidin-3-one
CID 67924455
1-decoxydocosane
CID 87077677
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-decoxydecane;hydrochloride
CID 172747457

Frequently Asked Questions

What is the IUPAC name of 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione (CID 142290124) is 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione is CCCCCCCCCOCn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is DDMZPQFJDRFUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-3-4-5-6-7-8-9-20-10-16-12(18)14-11(17)15-13(16)19/h2-10H2,1H3,(H2,14,15,17,18,19).
What are the key properties of 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione?
1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 285.34 g/mol, XLogP of 0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 142290124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).