3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine

C13H16FN5S — CID 122572178

IUPAC3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
SMILESCn1c(Sc2ncccc2F)nnc1C1CCNCC1
InChIInChI=1S/C13H16FN5S/c1-19-11(9-4-7-15-8-5-9)17-18-13(19)20-12-10(14)3-2-6-16-12/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyKEMZMGQEUMGUKI-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.97
Rot. Bonds3

About 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine

3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine (PubChem CID 122572178) has the molecular formula C13H16FN5S and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
PubChem CID122572178
Molecular FormulaC13H16FN5S
Molecular Weight293.37 g/mol
Exact Mass293.11
IUPAC Name3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
SMILESCn1c(Sc2ncccc2F)nnc1C1CCNCC1
InChIInChI=1S/C13H16FN5S/c1-19-11(9-4-7-15-8-5-9)17-18-13(19)20-12-10(14)3-2-6-16-12/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyKEMZMGQEUMGUKI-UHFFFAOYSA-N
XLogP1.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The IUPAC name of 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine (CID 122572178) is 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine.
What is the SMILES notation for 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The canonical SMILES for 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine is Cn1c(Sc2ncccc2F)nnc1C1CCNCC1.
What is the InChIKey of 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The InChIKey is KEMZMGQEUMGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5S/c1-19-11(9-4-7-15-8-5-9)17-18-13(19)20-12-10(14)3-2-6-16-12/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine?
3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine has a molecular weight of 293.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine is sourced from PubChem (CID 122572178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).