(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol

C11H13FN4O — CID 86687067

IUPAC(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(c2nnc3ccc(F)cn23)C1
InChIInChI=1S/C11H13FN4O/c12-8-3-4-10-13-14-11(16(10)6-8)15-5-1-2-9(17)7-15/h3-4,6,9,17H,1-2,5,7H2/t9-/m0/s1
InChIKeySKUQGGKEQWHHLP-VIFPVBQESA-N
MW236.25 g/mol
LogP0.83
Rot. Bonds1

About (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol

(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol (PubChem CID 86687067) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
PubChem CID86687067
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(c2nnc3ccc(F)cn23)C1
InChIInChI=1S/C11H13FN4O/c12-8-3-4-10-13-14-11(16(10)6-8)15-5-1-2-9(17)7-15/h3-4,6,9,17H,1-2,5,7H2/t9-/m0/s1
InChIKeySKUQGGKEQWHHLP-VIFPVBQESA-N
XLogP0.83
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol (CID 86687067) is (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol is O[C@H]1CCCN(c2nnc3ccc(F)cn23)C1.
What is the InChIKey of (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol?
The InChIKey is SKUQGGKEQWHHLP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FN4O/c12-8-3-4-10-13-14-11(16(10)6-8)15-5-1-2-9(17)7-15/h3-4,6,9,17H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol?
(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol has a molecular weight of 236.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol is sourced from PubChem (CID 86687067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).