2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol

C6H11N3OS — CID 83478143

IUPAC2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
SMILESCCc1nc(SCCO)n[nH]1
InChIInChI=1S/C6H11N3OS/c1-2-5-7-6(9-8-5)11-4-3-10/h10H,2-4H2,1H3,(H,7,8,9)
InChIKeyRMEUXBAXPMRAGZ-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.45
Rot. Bonds4

About 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol (PubChem CID 83478143) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
PubChem CID83478143
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
SMILESCCc1nc(SCCO)n[nH]1
InChIInChI=1S/C6H11N3OS/c1-2-5-7-6(9-8-5)11-4-3-10/h10H,2-4H2,1H3,(H,7,8,9)
InChIKeyRMEUXBAXPMRAGZ-UHFFFAOYSA-N
XLogP0.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 799700
3-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-5-ethyl-1H-1,2,4-triazole
CID 47135360
4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol
CID 61346098
1-(azepan-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 51318016
5-ethyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylsulfanyl]-1H-1,2,4-triazole
CID 52635167
5-ethyl-3-(naphthalen-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 91686966
3-[(4-ethoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole
CID 741333
5-ethyl-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 799705
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 50957478
1-(2,4-dimethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 735673
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)acetamide
CID 2981189
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 134000058

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol (CID 83478143) is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol is CCc1nc(SCCO)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The InChIKey is RMEUXBAXPMRAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-2-5-7-6(9-8-5)11-4-3-10/h10H,2-4H2,1H3,(H,7,8,9).
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol?
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol has a molecular weight of 173.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol is sourced from PubChem (CID 83478143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).