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

C12H15FN4O — CID 86687044

IUPAC[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C12H15FN4O/c13-10-1-2-11-14-15-12(17(11)7-10)16-5-3-9(8-18)4-6-16/h1-2,7,9,18H,3-6,8H2
InChIKeyZLVPIYMRRQWYCL-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.08
Rot. Bonds2

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

[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol (PubChem CID 86687044) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol
PubChem CID86687044
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C12H15FN4O/c13-10-1-2-11-14-15-12(17(11)7-10)16-5-3-9(8-18)4-6-16/h1-2,7,9,18H,3-6,8H2
InChIKeyZLVPIYMRRQWYCL-UHFFFAOYSA-N
XLogP1.08
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol (CID 86687044) is [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol is OCC1CCN(c2nnc3ccc(F)cn23)CC1.
What is the InChIKey of [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol?
The InChIKey is ZLVPIYMRRQWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c13-10-1-2-11-14-15-12(17(11)7-10)16-5-3-9(8-18)4-6-16/h1-2,7,9,18H,3-6,8H2.
What are the key properties of [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol?
[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol has a molecular weight of 250.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 86687044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).