1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

C12H15N3OS — CID 115812649

IUPAC1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCSc1ccccc1C(O)Cc1ncnn1C
InChIInChI=1S/C12H15N3OS/c1-15-12(13-8-14-15)7-10(16)9-5-3-4-6-11(9)17-2/h3-6,8,10,16H,7H2,1-2H3
InChIKeyHCCNWAFRTQDPIX-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 115812649) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID115812649
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCSc1ccccc1C(O)Cc1ncnn1C
InChIInChI=1S/C12H15N3OS/c1-15-12(13-8-14-15)7-10(16)9-5-3-4-6-11(9)17-2/h3-6,8,10,16H,7H2,1-2H3
InChIKeyHCCNWAFRTQDPIX-UHFFFAOYSA-N
XLogP1.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105107161
1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 82685780
1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 107947585
1-(2-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003291
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585
1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111512493
2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
CID 105107071
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 106756246
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115786607
1-(2-iodophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997588
1-(4-fluoro-3-methoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812576

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (CID 115812649) is 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is CSc1ccccc1C(O)Cc1ncnn1C.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is HCCNWAFRTQDPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15-12(13-8-14-15)7-10(16)9-5-3-4-6-11(9)17-2/h3-6,8,10,16H,7H2,1-2H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 249.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 115812649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).