1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione

C8H12N4O4 — CID 5191054

IUPAC1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O4/c13-6-9-7(14)12(8(15)10-6)5-11-1-3-16-4-2-11/h1-5H2,(H2,9,10,13,14,15)
InChIKeyFSYHBSYLCFINEU-UHFFFAOYSA-N
MW228.21 g/mol
LogP-2.49
Rot. Bonds2

About 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione

1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 5191054) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID5191054
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O4/c13-6-9-7(14)12(8(15)10-6)5-11-1-3-16-4-2-11/h1-5H2,(H2,9,10,13,14,15)
InChIKeyFSYHBSYLCFINEU-UHFFFAOYSA-N
XLogP-2.49
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-2.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 5191054) is 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(CN2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FSYHBSYLCFINEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c13-6-9-7(14)12(8(15)10-6)5-11-1-3-16-4-2-11/h1-5H2,(H2,9,10,13,14,15).
What are the key properties of 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione?
1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 228.21 g/mol, XLogP of -2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 5191054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).