[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol

C11H12FN3OS — CID 63835086

IUPAC[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol
SMILESCc1nnc(Sc2ccc(CO)cc2F)n1C
InChIInChI=1S/C11H12FN3OS/c1-7-13-14-11(15(7)2)17-10-4-3-8(6-16)5-9(10)12/h3-5,16H,6H2,1-2H3
InChIKeyGXPBNKGTOSIJSX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.91
Rot. Bonds3

About [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol

[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol (PubChem CID 63835086) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol
PubChem CID63835086
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol
SMILESCc1nnc(Sc2ccc(CO)cc2F)n1C
InChIInChI=1S/C11H12FN3OS/c1-7-13-14-11(15(7)2)17-10-4-3-8(6-16)5-9(10)12/h3-5,16H,6H2,1-2H3
InChIKeyGXPBNKGTOSIJSX-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol with MolForge

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Related Compounds

[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
CID 104604417
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorobenzenecarboximidamide
CID 55223784
[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
CID 63813829
2-amino-5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-fluorobenzamide
CID 63424311
[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
CID 63814866
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-fluorophenyl]methanamine
CID 79517455
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluorobenzonitrile
CID 63668040
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylbenzoic acid
CID 63539556
N-[[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63805813
5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 63537455
3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]benzoic acid
CID 82802960
4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]benzoic acid
CID 63513169

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol?
The IUPAC name of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol (CID 63835086) is [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol is Cc1nnc(Sc2ccc(CO)cc2F)n1C.
What is the InChIKey of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol?
The InChIKey is GXPBNKGTOSIJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-7-13-14-11(15(7)2)17-10-4-3-8(6-16)5-9(10)12/h3-5,16H,6H2,1-2H3.
What are the key properties of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol?
[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol has a molecular weight of 253.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol is sourced from PubChem (CID 63835086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).