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

C13H18N4O — CID 117139190

IUPAC3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESCCN1CCCCC1c1nnc2ccc(O)cn12
InChIInChI=1S/C13H18N4O/c1-2-16-8-4-3-5-11(16)13-15-14-12-7-6-10(18)9-17(12)13/h6-7,9,11,18H,2-5,8H2,1H3
InChIKeyIMIURYSNVBUTLQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.98
Rot. Bonds2

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

3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117139190) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117139190
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESCCN1CCCCC1c1nnc2ccc(O)cn12
InChIInChI=1S/C13H18N4O/c1-2-16-8-4-3-5-11(16)13-15-14-12-7-6-10(18)9-17(12)13/h6-7,9,11,18H,2-5,8H2,1H3
InChIKeyIMIURYSNVBUTLQ-UHFFFAOYSA-N
XLogP1.98
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117139190) is 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol is CCN1CCCCC1c1nnc2ccc(O)cn12.
What is the InChIKey of 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is IMIURYSNVBUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-16-8-4-3-5-11(16)13-15-14-12-7-6-10(18)9-17(12)13/h6-7,9,11,18H,2-5,8H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 246.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117139190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).