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

C12H15FN4O — CID 86687094

IUPAC[(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(c2nnc3ccc(F)cn23)C1
InChIInChI=1S/C12H15FN4O/c13-10-3-4-11-14-15-12(17(11)7-10)16-5-1-2-9(6-16)8-18/h3-4,7,9,18H,1-2,5-6,8H2/t9-/m1/s1
InChIKeyAIHUADQQTJWVAL-SECBINFHSA-N
MW250.28 g/mol
LogP1.08
Rot. Bonds2

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

[(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol (PubChem CID 86687094) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is [(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
PubChem CID86687094
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name[(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(c2nnc3ccc(F)cn23)C1
InChIInChI=1S/C12H15FN4O/c13-10-3-4-11-14-15-12(17(11)7-10)16-5-1-2-9(6-16)8-18/h3-4,7,9,18H,1-2,5-6,8H2/t9-/m1/s1
InChIKeyAIHUADQQTJWVAL-SECBINFHSA-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 [(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol (CID 86687094) is [(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol is OC[C@@H]1CCCN(c2nnc3ccc(F)cn23)C1.
What is the InChIKey of [(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol?
The InChIKey is AIHUADQQTJWVAL-SECBINFHSA-N. The full InChI is InChI=1S/C12H15FN4O/c13-10-3-4-11-14-15-12(17(11)7-10)16-5-1-2-9(6-16)8-18/h3-4,7,9,18H,1-2,5-6,8H2/t9-/m1/s1.
What are the key properties of [(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol?
[(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-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 [(3R)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 86687094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).