1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione

C10H17N3O7 — CID 59245379

IUPAC1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCO)c(=O)n(CC(O)CO)c(=O)n1CCO
InChIInChI=1S/C10H17N3O7/c14-3-1-11-8(18)12(2-4-15)10(20)13(9(11)19)5-7(17)6-16/h7,14-17H,1-6H2
InChIKeyGISPGDJAHGIGNA-UHFFFAOYSA-N
MW291.26 g/mol
LogP-4.49
Rot. Bonds7

About 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione

1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 59245379) has the molecular formula C10H17N3O7 and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID59245379
Molecular FormulaC10H17N3O7
Molecular Weight291.26 g/mol
Exact Mass291.11
IUPAC Name1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCO)c(=O)n(CC(O)CO)c(=O)n1CCO
InChIInChI=1S/C10H17N3O7/c14-3-1-11-8(18)12(2-4-15)10(20)13(9(11)19)5-7(17)6-16/h7,14-17H,1-6H2
InChIKeyGISPGDJAHGIGNA-UHFFFAOYSA-N
XLogP-4.49
TPSA146.92 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-4.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 59245379) is 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is O=c1n(CCO)c(=O)n(CC(O)CO)c(=O)n1CCO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is GISPGDJAHGIGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O7/c14-3-1-11-8(18)12(2-4-15)10(20)13(9(11)19)5-7(17)6-16/h7,14-17H,1-6H2.
What are the key properties of 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 291.26 g/mol, XLogP of -4.49, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59245379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).