(2,4,6-13C3)1,3,5-triazinane-2,4,6-trione

C3H3N3O3 — CID 46781087

IUPAC(2,4,6-13C3)1,3,5-triazinane-2,4,6-trione
SMILESO=[13c]1[nH][13c](=O)[nH][13c](=O)[nH]1
InChIInChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKeyZFSLODLOARCGLH-VMIGTVKRSA-N
MW132.05 g/mol
LogP-2.25
Rot. Bonds

About (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione

(2,4,6-13C3)1,3,5-triazinane-2,4,6-trione (PubChem CID 46781087) has the molecular formula C3H3N3O3 and a molecular weight of 132.05 g/mol. Its IUPAC name is (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name(2,4,6-13C3)1,3,5-triazinane-2,4,6-trione
PubChem CID46781087
Molecular FormulaC3H3N3O3
Molecular Weight132.05 g/mol
Exact Mass132.03
IUPAC Name(2,4,6-13C3)1,3,5-triazinane-2,4,6-trione
SMILESO=[13c]1[nH][13c](=O)[nH][13c](=O)[nH]1
InChIInChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKeyZFSLODLOARCGLH-VMIGTVKRSA-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 ≤ 500132.05
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione?
The IUPAC name of (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione (CID 46781087) is (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione is O=[13c]1[nH][13c](=O)[nH][13c](=O)[nH]1.
What is the InChIKey of (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione?
The InChIKey is ZFSLODLOARCGLH-VMIGTVKRSA-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)/i1+1,2+1,3+1.
What are the key properties of (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione?
(2,4,6-13C3)1,3,5-triazinane-2,4,6-trione has a molecular weight of 132.05 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 (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 46781087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).