1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one

C15H12FN3OS — CID 62850179

IUPAC1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
SMILESO=C(CCSc1nnc2ccccn12)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c16-12-6-4-11(5-7-12)13(20)8-10-21-15-18-17-14-3-1-2-9-19(14)15/h1-7,9H,8,10H2
InChIKeyTWRXFTHRUXQRBU-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.23
Rot. Bonds5

About 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one

1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one (PubChem CID 62850179) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
PubChem CID62850179
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
SMILESO=C(CCSc1nnc2ccccn12)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c16-12-6-4-11(5-7-12)13(20)8-10-21-15-18-17-14-3-1-2-9-19(14)15/h1-7,9H,8,10H2
InChIKeyTWRXFTHRUXQRBU-UHFFFAOYSA-N
XLogP3.23
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 972377
methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 15627151
4-fluoro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
CID 62850910
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 42326881
1-(1-methylpyrrol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 31098740
N'-hydroxy-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 55126543
1-(2,4-dimethylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2081257
2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 62850363
methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzoate
CID 2379528
3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 55209832
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 17392631
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one (CID 62850179) is 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one is O=C(CCSc1nnc2ccccn12)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one?
The InChIKey is TWRXFTHRUXQRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-12-6-4-11(5-7-12)13(20)8-10-21-15-18-17-14-3-1-2-9-19(14)15/h1-7,9H,8,10H2.
What are the key properties of 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one?
1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one has a molecular weight of 301.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one is sourced from PubChem (CID 62850179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).