2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H18N4O2 — CID 60745207

IUPAC2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN2CCC(O)CC2)nc2ccccn12
InChIInChI=1S/C13H18N4O2/c18-11-4-7-15(8-5-11)9-10-17-13(19)16-6-2-1-3-12(16)14-17/h1-3,6,11,18H,4-5,7-10H2
InChIKeyCRMYLUOZTGHMTC-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.05
Rot. Bonds3

About 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 60745207) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID60745207
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN2CCC(O)CC2)nc2ccccn12
InChIInChI=1S/C13H18N4O2/c18-11-4-7-15(8-5-11)9-10-17-13(19)16-6-2-1-3-12(16)14-17/h1-3,6,11,18H,4-5,7-10H2
InChIKeyCRMYLUOZTGHMTC-UHFFFAOYSA-N
XLogP-0.05
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 60745207) is 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCN2CCC(O)CC2)nc2ccccn12.
What is the InChIKey of 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is CRMYLUOZTGHMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-11-4-7-15(8-5-11)9-10-17-13(19)16-6-2-1-3-12(16)14-17/h1-3,6,11,18H,4-5,7-10H2.
What are the key properties of 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 262.31 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 60745207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).