[5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol

C16H14FN3OS — CID 56769443

IUPAC[5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol
SMILESCSc1cccc(-n2nnc(CO)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3OS/c1-22-14-4-2-3-13(9-14)20-16(15(10-21)18-19-20)11-5-7-12(17)8-6-11/h2-9,21H,10H2,1H3
InChIKeyUFMFLGJDKOJWGJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.29
Rot. Bonds4

About [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol

[5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol (PubChem CID 56769443) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol
PubChem CID56769443
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name[5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol
SMILESCSc1cccc(-n2nnc(CO)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3OS/c1-22-14-4-2-3-13(9-14)20-16(15(10-21)18-19-20)11-5-7-12(17)8-6-11/h2-9,21H,10H2,1H3
InChIKeyUFMFLGJDKOJWGJ-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol (CID 56769443) is [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol is CSc1cccc(-n2nnc(CO)c2-c2ccc(F)cc2)c1.
What is the InChIKey of [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol?
The InChIKey is UFMFLGJDKOJWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-22-14-4-2-3-13(9-14)20-16(15(10-21)18-19-20)11-5-7-12(17)8-6-11/h2-9,21H,10H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol?
[5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol has a molecular weight of 315.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 56769443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).