6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C12H15FN4 — CID 86687134

IUPAC6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCC[C@H](c2nnc3ccc(F)cn23)C1
InChIInChI=1S/C12H15FN4/c1-16-6-2-3-9(7-16)12-15-14-11-5-4-10(13)8-17(11)12/h4-5,8-9H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyYHJTUDJGFHULAX-VIFPVBQESA-N
MW234.28 g/mol
LogP1.68
Rot. Bonds1

About 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86687134) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86687134
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCC[C@H](c2nnc3ccc(F)cn23)C1
InChIInChI=1S/C12H15FN4/c1-16-6-2-3-9(7-16)12-15-14-11-5-4-10(13)8-17(11)12/h4-5,8-9H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyYHJTUDJGFHULAX-VIFPVBQESA-N
XLogP1.68
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 86687134) is 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is CN1CCC[C@H](c2nnc3ccc(F)cn23)C1.
What is the InChIKey of 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YHJTUDJGFHULAX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FN4/c1-16-6-2-3-9(7-16)12-15-14-11-5-4-10(13)8-17(11)12/h4-5,8-9H,2-3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 234.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86687134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).