6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione

C9H17N3O6 — CID 91492823

IUPAC6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1N(CCO)C(=O)N(CCO)C(O)N1CCO
InChIInChI=1S/C9H17N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h7,13-16H,1-6H2
InChIKeyATMQMPQEDHUQNW-UHFFFAOYSA-N
MW263.25 g/mol
LogP-2.60
Rot. Bonds6

About 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione

6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione (PubChem CID 91492823) has the molecular formula C9H17N3O6 and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione
PubChem CID91492823
Molecular FormulaC9H17N3O6
Molecular Weight263.25 g/mol
Exact Mass263.11
IUPAC Name6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1N(CCO)C(=O)N(CCO)C(O)N1CCO
InChIInChI=1S/C9H17N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h7,13-16H,1-6H2
InChIKeyATMQMPQEDHUQNW-UHFFFAOYSA-N
XLogP-2.60
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione (CID 91492823) is 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione is O=C1N(CCO)C(=O)N(CCO)C(O)N1CCO.
What is the InChIKey of 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is ATMQMPQEDHUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h7,13-16H,1-6H2.
What are the key properties of 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione?
6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 263.25 g/mol, XLogP of -2.60, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 91492823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).