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

C15H22N4 — CID 99782748

IUPAC3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC[C@H](C)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C15H22N4/c1-3-12(2)18-10-7-13(8-11-18)15-17-16-14-6-4-5-9-19(14)15/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3/t12-/m0/s1
InChIKeyGGGOIIJARHVGIB-LBPRGKRZSA-N
MW258.37 g/mol
LogP2.71
Rot. Bonds3

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

3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 99782748) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID99782748
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC[C@H](C)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C15H22N4/c1-3-12(2)18-10-7-13(8-11-18)15-17-16-14-6-4-5-9-19(14)15/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3/t12-/m0/s1
InChIKeyGGGOIIJARHVGIB-LBPRGKRZSA-N
XLogP2.71
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 86909959
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole
CID 72932562
5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile
CID 86911616
[4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009006
2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86909036
N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 119038879
(1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 95623551
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 78841914
(3-ethoxy-4-methoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31742735
2-(4-methylphenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 131927097
2-(2-chlorophenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 31742653

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 99782748) is 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is CC[C@H](C)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GGGOIIJARHVGIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-12(2)18-10-7-13(8-11-18)15-17-16-14-6-4-5-9-19(14)15/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 258.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 99782748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).