1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione

C10H17N3O5 — CID 143274636

IUPAC1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(CCO)c(=O)n(CCCO)c1=O
InChIInChI=1S/C10H17N3O5/c1-2-11-8(16)12(4-3-6-14)10(18)13(5-7-15)9(11)17/h14-15H,2-7H2,1H3
InChIKeySDZLAQJRKJSXCS-UHFFFAOYSA-N
MW259.26 g/mol
LogP-2.43
Rot. Bonds6

About 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione

1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 143274636) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID143274636
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(CCO)c(=O)n(CCCO)c1=O
InChIInChI=1S/C10H17N3O5/c1-2-11-8(16)12(4-3-6-14)10(18)13(5-7-15)9(11)17/h14-15H,2-7H2,1H3
InChIKeySDZLAQJRKJSXCS-UHFFFAOYSA-N
XLogP-2.43
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 12062943
1-ethyl-3,5-diheptyl-1,3,5-triazinane-2,4,6-trione;methane
CID 160918747
1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 166726321
1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 71196349
1-(3-hydroxypropyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 58435316
bis(2-methylprop-2-enoic acid);1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 66632028
3-[3-(3-hydroxypropyl)-5-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl 2-methylprop-2-enoate
CID 68566366
1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione
CID 15152537
1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 59245379
1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
CID 2783724
1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one
CID 107705197
1,3-dibutyl-7-(3-hydroxypropyl)purine-2,6-dione
CID 57299123

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione (CID 143274636) is 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)n(CCO)c(=O)n(CCCO)c1=O.
What is the InChIKey of 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SDZLAQJRKJSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-2-11-8(16)12(4-3-6-14)10(18)13(5-7-15)9(11)17/h14-15H,2-7H2,1H3.
What are the key properties of 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione?
1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 259.26 g/mol, XLogP of -2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 143274636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).