1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione

C7H11N3O6 — CID 174598770

IUPAC1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione
SMILESCOC(CO)COn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O6/c1-15-4(2-11)3-16-10-6(13)8-5(12)9-7(10)14/h4,11H,2-3H2,1H3,(H2,8,9,12,13,14)
InChIKeyCGGHVFDZOXWDQY-UHFFFAOYSA-N
MW233.18 g/mol
LogP-3.34
Rot. Bonds5

About 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione

1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione (PubChem CID 174598770) has the molecular formula C7H11N3O6 and a molecular weight of 233.18 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione
PubChem CID174598770
Molecular FormulaC7H11N3O6
Molecular Weight233.18 g/mol
Exact Mass233.06
IUPAC Name1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione
SMILESCOC(CO)COn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O6/c1-15-4(2-11)3-16-10-6(13)8-5(12)9-7(10)14/h4,11H,2-3H2,1H3,(H2,8,9,12,13,14)
InChIKeyCGGHVFDZOXWDQY-UHFFFAOYSA-N
XLogP-3.34
TPSA126.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 5-3.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione (CID 174598770) is 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione is COC(CO)COn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is CGGHVFDZOXWDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O6/c1-15-4(2-11)3-16-10-6(13)8-5(12)9-7(10)14/h4,11H,2-3H2,1H3,(H2,8,9,12,13,14).
What are the key properties of 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione?
1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 233.18 g/mol, XLogP of -3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methoxypropoxy)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174598770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).