3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine

C12H16N4 — CID 121283686

IUPAC3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESC[C@H]1CCCCN1c1nnc2ccccn12
InChIInChI=1S/C12H16N4/c1-10-6-2-4-8-15(10)12-14-13-11-7-3-5-9-16(11)12/h3,5,7,9-10H,2,4,6,8H2,1H3/t10-/m0/s1
InChIKeyUEHDTCYEYGABKW-JTQLQIEISA-N
MW216.29 g/mol
LogP2.11
Rot. Bonds1

About 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 121283686) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID121283686
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESC[C@H]1CCCCN1c1nnc2ccccn12
InChIInChI=1S/C12H16N4/c1-10-6-2-4-8-15(10)12-14-13-11-7-3-5-9-16(11)12/h3,5,7,9-10H,2,4,6,8H2,1H3/t10-/m0/s1
InChIKeyUEHDTCYEYGABKW-JTQLQIEISA-N
XLogP2.11
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 141366766
3-(chloromethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 54882666
1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone
CID 9355843
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 155507234
N-(cyclohexylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203059
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol
CID 137337341
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
CID 63060051
N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
3-(cyclohexylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 172905900
3-(2-methylpiperidin-1-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 43424243
(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
CID 162630814

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 121283686) is 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine is C[C@H]1CCCCN1c1nnc2ccccn12.
What is the InChIKey of 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UEHDTCYEYGABKW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4/c1-10-6-2-4-8-15(10)12-14-13-11-7-3-5-9-16(11)12/h3,5,7,9-10H,2,4,6,8H2,1H3/t10-/m0/s1.
What are the key properties of 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 216.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 121283686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).