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

C8H13N3O5 — CID 23550168

IUPAC1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CCO)c(=O)n(CCO)c1=O
InChIInChI=1S/C8H13N3O5/c1-9-6(14)10(2-4-12)8(16)11(3-5-13)7(9)15/h12-13H,2-5H2,1H3
InChIKeyQZLHYSQVUXEMFY-UHFFFAOYSA-N
MW231.21 g/mol
LogP-3.31
Rot. Bonds4

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

1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 23550168) has the molecular formula C8H13N3O5 and a molecular weight of 231.21 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID23550168
Molecular FormulaC8H13N3O5
Molecular Weight231.21 g/mol
Exact Mass231.09
IUPAC Name1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CCO)c(=O)n(CCO)c1=O
InChIInChI=1S/C8H13N3O5/c1-9-6(14)10(2-4-12)8(16)11(3-5-13)7(9)15/h12-13H,2-5H2,1H3
InChIKeyQZLHYSQVUXEMFY-UHFFFAOYSA-N
XLogP-3.31
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-3.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1,3,5-Tris(2-hydroxyethyl) isocyanurate
CID 13286
1,3,5-Triazin-2(1H)-one, tetrahydro-5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-
CID 74617
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-4-(2-hydroxyethyl)-N-methyl-, monohydrochloride
CID 3066985
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxypropyl)-
CID 11120211
3,5-Bis(3-hydroxypropyl)-1-methyl-1,3,5-tri-azine-2,4,6(1h,3h,5h)-trione
CID 12062943
Tris(hydroxy ethyl)isocyanurate
CID 21885027
1-Ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CID 104374
N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 3066986
1-(2-Hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 18520329
1,3-Bis(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
CID 20255443
1,3-Bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 57123327
Propane-1,1,1-triol;1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 170851769

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 23550168) is 1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(CCO)c(=O)n(CCO)c1=O.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is QZLHYSQVUXEMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5/c1-9-6(14)10(2-4-12)8(16)11(3-5-13)7(9)15/h12-13H,2-5H2,1H3.
What are the key properties of 1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 231.21 g/mol, XLogP of -3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23550168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).