6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione

C6H11N3O3 — CID 13484842

IUPAC6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)N(C)C(O)N(C)C1=O
InChIInChI=1S/C6H11N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h4,10H,1-3H3
InChIKeyXEEOAAKGCIPCMI-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.69
Rot. Bonds

About 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione

6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione (PubChem CID 13484842) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione
PubChem CID13484842
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)N(C)C(O)N(C)C1=O
InChIInChI=1S/C6H11N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h4,10H,1-3H3
InChIKeyXEEOAAKGCIPCMI-UHFFFAOYSA-N
XLogP-0.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione (CID 13484842) is 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione is CN1C(=O)N(C)C(O)N(C)C1=O.
What is the InChIKey of 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione?
The InChIKey is XEEOAAKGCIPCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h4,10H,1-3H3.
What are the key properties of 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione?
6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione has a molecular weight of 173.17 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 13484842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).