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

C14H19FN4O — CID 86687087

IUPAC2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C14H19FN4O/c1-14(2,20)10-5-7-18(8-6-10)13-17-16-12-4-3-11(15)9-19(12)13/h3-4,9-10,20H,5-8H2,1-2H3
InChIKeyYBLFOQIOYPXYHT-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.86
Rot. Bonds2

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

2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol (PubChem CID 86687087) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol
PubChem CID86687087
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C14H19FN4O/c1-14(2,20)10-5-7-18(8-6-10)13-17-16-12-4-3-11(15)9-19(12)13/h3-4,9-10,20H,5-8H2,1-2H3
InChIKeyYBLFOQIOYPXYHT-UHFFFAOYSA-N
XLogP1.86
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol (CID 86687087) is 2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(c2nnc3ccc(F)cn23)CC1.
What is the InChIKey of 2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol?
The InChIKey is YBLFOQIOYPXYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-14(2,20)10-5-7-18(8-6-10)13-17-16-12-4-3-11(15)9-19(12)13/h3-4,9-10,20H,5-8H2,1-2H3.
What are the key properties of 2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol?
2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol has a molecular weight of 278.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 86687087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).