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

C13H17FN4O — CID 86687072

IUPAC1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C13H17FN4O/c1-9(19)10-4-6-17(7-5-10)13-16-15-12-3-2-11(14)8-18(12)13/h2-3,8-10,19H,4-7H2,1H3
InChIKeyWHSMSGVFPBZRHL-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.47
Rot. Bonds2

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

1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol (PubChem CID 86687072) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol
PubChem CID86687072
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C13H17FN4O/c1-9(19)10-4-6-17(7-5-10)13-16-15-12-3-2-11(14)8-18(12)13/h2-3,8-10,19H,4-7H2,1H3
InChIKeyWHSMSGVFPBZRHL-UHFFFAOYSA-N
XLogP1.47
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol (CID 86687072) is 1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2nnc3ccc(F)cn23)CC1.
What is the InChIKey of 1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol?
The InChIKey is WHSMSGVFPBZRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-9(19)10-4-6-17(7-5-10)13-16-15-12-3-2-11(14)8-18(12)13/h2-3,8-10,19H,4-7H2,1H3.
What are the key properties of 1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol?
1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol has a molecular weight of 264.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 86687072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).