6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C16H16FN3S — CID 173185327

IUPAC6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(F)cccc1Sc1ccc2nnc(C(C)C)n2c1
InChIInChI=1S/C16H16FN3S/c1-10(2)16-19-18-15-8-7-12(9-20(15)16)21-14-6-4-5-13(17)11(14)3/h4-10H,1-3H3
InChIKeyNHONLHFFVJYPLX-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.45
Rot. Bonds3

About 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 173185327) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID173185327
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(F)cccc1Sc1ccc2nnc(C(C)C)n2c1
InChIInChI=1S/C16H16FN3S/c1-10(2)16-19-18-15-8-7-12(9-20(15)16)21-14-6-4-5-13(17)11(14)3/h4-10H,1-3H3
InChIKeyNHONLHFFVJYPLX-UHFFFAOYSA-N
XLogP4.45
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 173185327) is 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is Cc1c(F)cccc1Sc1ccc2nnc(C(C)C)n2c1.
What is the InChIKey of 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NHONLHFFVJYPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-10(2)16-19-18-15-8-7-12(9-20(15)16)21-14-6-4-5-13(17)11(14)3/h4-10H,1-3H3.
What are the key properties of 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 301.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 173185327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).