5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one

C10H11N3O3 — CID 136999564

IUPAC5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCO)nn1-c1ccc(O)cc1
InChIInChI=1S/C10H11N3O3/c14-6-5-9-11-10(16)13(12-9)7-1-3-8(15)4-2-7/h1-4,14-15H,5-6H2,(H,11,12,16)
InChIKeyPUZFOYFZLVEQNN-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.20
Rot. Bonds3

About 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one

5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one (PubChem CID 136999564) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one
PubChem CID136999564
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCO)nn1-c1ccc(O)cc1
InChIInChI=1S/C10H11N3O3/c14-6-5-9-11-10(16)13(12-9)7-1-3-8(15)4-2-7/h1-4,14-15H,5-6H2,(H,11,12,16)
InChIKeyPUZFOYFZLVEQNN-UHFFFAOYSA-N
XLogP-0.20
TPSA91.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-hydroxyethyl)-2-(4-methylphenyl)-4H-1,2,4-triazol-3-one
CID 136999531
5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one
CID 136999563
5-(2-aminoethyl)-2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 136999576
5-(2-aminoethyl)-2-(4-bromophenyl)-4H-1,2,4-triazol-3-one
CID 136954441
5-butyl-2-(4-phenylmethoxyphenyl)-4H-1,2,4-triazol-3-one
CID 135720083
5-(aminomethyl)-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 136999549
5-(2-aminoethyl)-2-(3-methylphenyl)-4H-1,2,4-triazol-3-one
CID 136999513
3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
CID 117123206
5-(aminomethyl)-2-(3-chlorophenyl)-4H-1,2,4-triazol-3-one
CID 136999615
5-(4,4,4-trifluorobutyl)-2-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-one
CID 135457359
5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one
CID 135949977
5-bromo-2-phenyl-4H-1,2,4-triazol-3-one
CID 165346620

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one (CID 136999564) is 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(CCO)nn1-c1ccc(O)cc1.
What is the InChIKey of 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one?
The InChIKey is PUZFOYFZLVEQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-6-5-9-11-10(16)13(12-9)7-1-3-8(15)4-2-7/h1-4,14-15H,5-6H2,(H,11,12,16).
What are the key properties of 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one?
5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one has a molecular weight of 221.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136999564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).