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

C11H13FN4 — CID 86687015

IUPAC6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCC[C@H]1c1nnc2ccc(F)cn12
InChIInChI=1S/C11H13FN4/c1-15-6-2-3-9(15)11-14-13-10-5-4-8(12)7-16(10)11/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1
InChIKeyPEPIMKJAXXOILA-VIFPVBQESA-N
MW220.25 g/mol
LogP1.64
Rot. Bonds1

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

6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86687015) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86687015
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCC[C@H]1c1nnc2ccc(F)cn12
InChIInChI=1S/C11H13FN4/c1-15-6-2-3-9(15)11-14-13-10-5-4-8(12)7-16(10)11/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1
InChIKeyPEPIMKJAXXOILA-VIFPVBQESA-N
XLogP1.64
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 86687015) is 6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is CN1CCC[C@H]1c1nnc2ccc(F)cn12.
What is the InChIKey of 6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PEPIMKJAXXOILA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FN4/c1-15-6-2-3-9(15)11-14-13-10-5-4-8(12)7-16(10)11/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1.
What are the key properties of 6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 220.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86687015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).