[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol

C17H16FN3OS — CID 3328801

IUPAC[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol
SMILESCn1c(SCc2ccccc2F)nnc1C(O)c1ccccc1
InChIInChI=1S/C17H16FN3OS/c1-21-16(15(22)12-7-3-2-4-8-12)19-20-17(21)23-11-13-9-5-6-10-14(13)18/h2-10,15,22H,11H2,1H3
InChIKeyUGLZJXKBBQQWJE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.33
Rot. Bonds5

About [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol

[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol (PubChem CID 3328801) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol
PubChem CID3328801
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol
SMILESCn1c(SCc2ccccc2F)nnc1C(O)c1ccccc1
InChIInChI=1S/C17H16FN3OS/c1-21-16(15(22)12-7-3-2-4-8-12)19-20-17(21)23-11-13-9-5-6-10-14(13)18/h2-10,15,22H,11H2,1H3
InChIKeyUGLZJXKBBQQWJE-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol?
The IUPAC name of [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol (CID 3328801) is [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol.
What is the SMILES notation for [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol?
The canonical SMILES for [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol is Cn1c(SCc2ccccc2F)nnc1C(O)c1ccccc1.
What is the InChIKey of [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol?
The InChIKey is UGLZJXKBBQQWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-21-16(15(22)12-7-3-2-4-8-12)19-20-17(21)23-11-13-9-5-6-10-14(13)18/h2-10,15,22H,11H2,1H3.
What are the key properties of [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol?
[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol has a molecular weight of 329.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-phenylmethanol is sourced from PubChem (CID 3328801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).