[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol

C11H10F3N3OS — CID 104604430

IUPAC[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol
SMILESCn1ncnc1Sc1ccc(CO)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-17-10(15-6-16-17)19-9-3-2-7(5-18)4-8(9)11(12,13)14/h2-4,6,18H,5H2,1H3
InChIKeyFYQJALVOLXDCNB-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.48
Rot. Bonds3

About [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol

[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol (PubChem CID 104604430) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol
PubChem CID104604430
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol
SMILESCn1ncnc1Sc1ccc(CO)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-17-10(15-6-16-17)19-9-3-2-7(5-18)4-8(9)11(12,13)14/h2-4,6,18H,5H2,1H3
InChIKeyFYQJALVOLXDCNB-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol (CID 104604430) is [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol is Cn1ncnc1Sc1ccc(CO)cc1C(F)(F)F.
What is the InChIKey of [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is FYQJALVOLXDCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-17-10(15-6-16-17)19-9-3-2-7(5-18)4-8(9)11(12,13)14/h2-4,6,18H,5H2,1H3.
What are the key properties of [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol?
[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 289.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 104604430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).