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

C3H3N3O3 — CID 7956

IUPAC1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
InChIKeyZFSLODLOARCGLH-UHFFFAOYSA-N
MW129.07 g/mol
LogP-2.25
Rot. Bonds

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

1,3,5-triazinane-2,4,6-trione (PubChem CID 7956) has the molecular formula C3H3N3O3 and a molecular weight of 129.07 g/mol. Its IUPAC name is 1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-triazinane-2,4,6-trione
PubChem CID7956
Molecular FormulaC3H3N3O3
Molecular Weight129.07 g/mol
Exact Mass129.02
IUPAC Name1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
InChIKeyZFSLODLOARCGLH-UHFFFAOYSA-N
XLogP-2.25
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.07
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Dichloroisocyanurate
CID 16726
Sodium cyanurate
CID 23721627
Dibromoisocyanuric acid
CID 192912
Chloroisocyanuric acid
CID 17922
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-bromo-
CID 84798
Cyanuric acid fluoride
CID 88388423
Cyanuric acid dihydrate
CID 66815535
1,3,5-triazine-2,4,6(1h,3h,5h)-trione, zinc salt
CID 86280834
Cuprammonium cyanurate
CID 166636650
Sodium 3-bromo-2,4,6-trioxo-1,3,5-triazinan-1-ide
CID 11470237
Cyanuric acid monohydrate
CID 22011629
Cyanuric acid trihydrochloride
CID 66629356

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-triazinane-2,4,6-trione (CID 7956) is 1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1,3,5-triazinane-2,4,6-trione?
The InChIKey is ZFSLODLOARCGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9).
What are the key properties of 1,3,5-triazinane-2,4,6-trione?
1,3,5-triazinane-2,4,6-trione has a molecular weight of 129.07 g/mol, XLogP of -2.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 7956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).