4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione

C10H11N3O4 — CID 90261032

IUPAC4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1ccc(OCCO)cc1
InChIInChI=1S/C10H11N3O4/c14-5-6-17-8-3-1-7(2-4-8)13-9(15)11-12-10(13)16/h1-4,14H,5-6H2,(H,11,15)(H,12,16)
InChIKeyCBIXRKLZJGLWEJ-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.77
Rot. Bonds4

About 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione

4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 90261032) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione
PubChem CID90261032
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1ccc(OCCO)cc1
InChIInChI=1S/C10H11N3O4/c14-5-6-17-8-3-1-7(2-4-8)13-9(15)11-12-10(13)16/h1-4,14H,5-6H2,(H,11,15)(H,12,16)
InChIKeyCBIXRKLZJGLWEJ-UHFFFAOYSA-N
XLogP-0.77
TPSA100.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 162335780
CID 162335780
2-(4-piperazin-1-ylphenoxy)ethanol
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2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione
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[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194
bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
CID 102448547
2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol
CID 139605342
3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione
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1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione
CID 15868799
CID 90413070
CID 90413070
3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one
CID 91018538
4-(3,5-dioxo-1,2,4-triazolidin-4-yl)benzenecarbothioamide
CID 107409646
4-[4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methoxy]phenyl]-1,2,4-triazolidine-3,5-dione
CID 167952705

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione (CID 90261032) is 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1-c1ccc(OCCO)cc1.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is CBIXRKLZJGLWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-5-6-17-8-3-1-7(2-4-8)13-9(15)11-12-10(13)16/h1-4,14H,5-6H2,(H,11,15)(H,12,16).
What are the key properties of 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione?
4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 237.22 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 90261032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).