1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione

C7H11N3O5 — CID 21393999

IUPAC1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(O)Cn1c(=O)[nH]c(=O)n(CO)c1=O
InChIInChI=1S/C7H11N3O5/c1-4(12)2-9-5(13)8-6(14)10(3-11)7(9)15/h4,11-12H,2-3H2,1H3,(H,8,13,14)
InChIKeyMAKGEXOAELZZDV-UHFFFAOYSA-N
MW217.18 g/mol
LogP-2.97
Rot. Bonds3

About 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione

1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 21393999) has the molecular formula C7H11N3O5 and a molecular weight of 217.18 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID21393999
Molecular FormulaC7H11N3O5
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(O)Cn1c(=O)[nH]c(=O)n(CO)c1=O
InChIInChI=1S/C7H11N3O5/c1-4(12)2-9-5(13)8-6(14)10(3-11)7(9)15/h4,11-12H,2-3H2,1H3,(H,8,13,14)
InChIKeyMAKGEXOAELZZDV-UHFFFAOYSA-N
XLogP-2.97
TPSA117.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-2.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione (CID 21393999) is 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione is CC(O)Cn1c(=O)[nH]c(=O)n(CO)c1=O.
What is the InChIKey of 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is MAKGEXOAELZZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O5/c1-4(12)2-9-5(13)8-6(14)10(3-11)7(9)15/h4,11-12H,2-3H2,1H3,(H,8,13,14).
What are the key properties of 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 217.18 g/mol, XLogP of -2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 21393999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).