2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione

C9H13N3O6 — CID 174688773

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione
SMILESC(OCC1CO1)C1CO1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H10O3.C3H3N3O3/c1(5-3-8-5)7-2-6-4-9-6;7-1-4-2(8)6-3(9)5-1/h5-6H,1-4H2;(H3,4,5,6,7,8,9)
InChIKeyYWYUIJLISILHQO-UHFFFAOYSA-N
MW259.22 g/mol
LogP-2.45
Rot. Bonds4

About 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione

2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione (PubChem CID 174688773) has the molecular formula C9H13N3O6 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione
PubChem CID174688773
Molecular FormulaC9H13N3O6
Molecular Weight259.22 g/mol
Exact Mass259.08
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione
SMILESC(OCC1CO1)C1CO1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H10O3.C3H3N3O3/c1(5-3-8-5)7-2-6-4-9-6;7-1-4-2(8)6-3(9)5-1/h5-6H,1-4H2;(H3,4,5,6,7,8,9)
InChIKeyYWYUIJLISILHQO-UHFFFAOYSA-N
XLogP-2.45
TPSA132.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
CID 88761424
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione (CID 174688773) is 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione is C(OCC1CO1)C1CO1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione?
The InChIKey is YWYUIJLISILHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H3N3O3/c1(5-3-8-5)7-2-6-4-9-6;7-1-4-2(8)6-3(9)5-1/h5-6H,1-4H2;(H3,4,5,6,7,8,9).
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione?
2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione has a molecular weight of 259.22 g/mol, XLogP of -2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174688773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).