3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one

C15H15N3O2S — CID 50980596

IUPAC3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCc2ccccc2O)n1Cc1cccs1
InChIInChI=1S/C15H15N3O2S/c19-13-6-2-1-4-11(13)7-8-14-16-17-15(20)18(14)10-12-5-3-9-21-12/h1-6,9,19H,7-8,10H2,(H,17,20)
InChIKeyCDGLYSQWTHGPPT-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.17
Rot. Bonds5

About 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one

3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one (PubChem CID 50980596) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one
PubChem CID50980596
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCc2ccccc2O)n1Cc1cccs1
InChIInChI=1S/C15H15N3O2S/c19-13-6-2-1-4-11(13)7-8-14-16-17-15(20)18(14)10-12-5-3-9-21-12/h1-6,9,19H,7-8,10H2,(H,17,20)
InChIKeyCDGLYSQWTHGPPT-UHFFFAOYSA-N
XLogP2.17
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-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

3-(2-aminoethyl)-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one
CID 56704069
3-(piperidin-4-ylmethyl)-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one;hydrochloride
CID 175667306
4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one
CID 139069667
5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one
CID 23830026
CID 175749710
CID 175749710
3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one
CID 14027438
6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione
CID 2925694
[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol
CID 46128397
N-[(2-fluorophenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026233
2-[2-(thiophen-2-ylmethyl)phenyl]ethanol
CID 11252951
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
2-[[2-butyl-5-[2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]phenol
CID 54396273

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one (CID 50980596) is 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(CCc2ccccc2O)n1Cc1cccs1.
What is the InChIKey of 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is CDGLYSQWTHGPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-13-6-2-1-4-11(13)7-8-14-16-17-15(20)18(14)10-12-5-3-9-21-12/h1-6,9,19H,7-8,10H2,(H,17,20).
What are the key properties of 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one?
3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 301.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50980596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).