1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione

C9H15N3O9 — CID 139662518

IUPAC1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C(O)CO)c(=O)n(C(O)CO)c(=O)n1C(O)CO
InChIInChI=1S/C9H15N3O9/c13-1-4(16)10-7(19)11(5(17)2-14)9(21)12(8(10)20)6(18)3-15/h4-6,13-18H,1-3H2
InChIKeyAZGNSQDUAJRWMY-UHFFFAOYSA-N
MW309.23 g/mol
LogP-5.38
Rot. Bonds6

About 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 139662518) has the molecular formula C9H15N3O9 and a molecular weight of 309.23 g/mol. Its IUPAC name is 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID139662518
Molecular FormulaC9H15N3O9
Molecular Weight309.23 g/mol
Exact Mass309.08
IUPAC Name1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C(O)CO)c(=O)n(C(O)CO)c(=O)n1C(O)CO
InChIInChI=1S/C9H15N3O9/c13-1-4(16)10-7(19)11(5(17)2-14)9(21)12(8(10)20)6(18)3-15/h4-6,13-18H,1-3H2
InChIKeyAZGNSQDUAJRWMY-UHFFFAOYSA-N
XLogP-5.38
TPSA187.38 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500309.23
LogP ≤ 5-5.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

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CID 130129765
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CID 139814368
1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 59245379
(1S)-1-pyrrolidin-1-ylethane-1,2-diol
CID 143982374
1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione
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magnesium;propane-1,2,3-triol;dihydroxide
CID 159793120
1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
CID 79884865
1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one
CID 21219852
1-(1,2,2-trihydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 67709709
4-(2,3-dihydroxypropyl)morpholine-3,5-dione
CID 66176288
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione;dihydrate
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(2S,3R)-2,3,4-trihydroxy(113C)butanal
CID 131883807

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 139662518) is 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione is O=c1n(C(O)CO)c(=O)n(C(O)CO)c(=O)n1C(O)CO.
What is the InChIKey of 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AZGNSQDUAJRWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O9/c13-1-4(16)10-7(19)11(5(17)2-14)9(21)12(8(10)20)6(18)3-15/h4-6,13-18H,1-3H2.
What are the key properties of 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 309.23 g/mol, XLogP of -5.38, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 139662518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).