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

C13H18N4O — CID 144753470

IUPAC3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESC[C@@H]1CCC[C@H](C)N1c1nnc2ccc(O)cn12
InChIInChI=1S/C13H18N4O/c1-9-4-3-5-10(2)17(9)13-15-14-12-7-6-11(18)8-16(12)13/h6-10,18H,3-5H2,1-2H3/t9-,10+
InChIKeyNLDUBOXBORJZNH-AOOOYVTPSA-N
MW246.31 g/mol
LogP2.20
Rot. Bonds1

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

3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 144753470) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID144753470
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESC[C@@H]1CCC[C@H](C)N1c1nnc2ccc(O)cn12
InChIInChI=1S/C13H18N4O/c1-9-4-3-5-10(2)17(9)13-15-14-12-7-6-11(18)8-16(12)13/h6-10,18H,3-5H2,1-2H3/t9-,10+
InChIKeyNLDUBOXBORJZNH-AOOOYVTPSA-N
XLogP2.20
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 144753470) is 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is C[C@@H]1CCC[C@H](C)N1c1nnc2ccc(O)cn12.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is NLDUBOXBORJZNH-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-4-3-5-10(2)17(9)13-15-14-12-7-6-11(18)8-16(12)13/h6-10,18H,3-5H2,1-2H3/t9-,10+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 246.31 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 144753470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).