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

C6H6N6O6 — CID 21263572

IUPAC1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C3H3N3O3/c2*7-1-4-2(8)6-3(9)5-1/h2*(H3,4,5,6,7,8,9)
InChIKeyILUSMKXTLSNIRA-UHFFFAOYSA-N
MW258.15 g/mol
LogP-4.50
Rot. Bonds

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

1,3,5-triazinane-2,4,6-trione (PubChem CID 21263572) has the molecular formula C6H6N6O6 and a molecular weight of 258.15 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 CID21263572
Molecular FormulaC6H6N6O6
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C3H3N3O3/c2*7-1-4-2(8)6-3(9)5-1/h2*(H3,4,5,6,7,8,9)
InChIKeyILUSMKXTLSNIRA-UHFFFAOYSA-N
XLogP-4.50
TPSA197.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.15
LogP ≤ 5-4.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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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 21263572) 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.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 ILUSMKXTLSNIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N3O3/c2*7-1-4-2(8)6-3(9)5-1/h2*(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 258.15 g/mol, XLogP of -4.50, 0 rotatable bonds, 6 hydrogen bond donors, and 6 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 21263572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).