1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

C14H19N3O3S — CID 115816575

IUPAC1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O3S/c1-3-8-17-14(15-10-16-17)9-13(18)11-4-6-12(7-5-11)21(2,19)20/h4-7,10,13,18H,3,8-9H2,1-2H3
InChIKeyIOABCDIRYQATJI-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.37
Rot. Bonds6

About 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 115816575) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID115816575
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O3S/c1-3-8-17-14(15-10-16-17)9-13(18)11-4-6-12(7-5-11)21(2,19)20/h4-7,10,13,18H,3,8-9H2,1-2H3
InChIKeyIOABCDIRYQATJI-UHFFFAOYSA-N
XLogP1.37
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 115524867
1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 114454223
1-(2-methylfuran-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 104789442
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003193
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109760
1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507
1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 107469348

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (CID 115816575) is 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1ncnc1CC(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is IOABCDIRYQATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-8-17-14(15-10-16-17)9-13(18)11-4-6-12(7-5-11)21(2,19)20/h4-7,10,13,18H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 309.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 115816575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).