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

C16H22N4S — CID 100624676

IUPAC3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCSC1(CN2CCC[C@H](c3nnc4ccccn34)C2)CC1
InChIInChI=1S/C16H22N4S/c1-21-16(7-8-16)12-19-9-4-5-13(11-19)15-18-17-14-6-2-3-10-20(14)15/h2-3,6,10,13H,4-5,7-9,11-12H2,1H3/t13-/m0/s1
InChIKeyQKYCSTDZGVLAGU-ZDUSSCGKSA-N
MW302.45 g/mol
LogP2.80
Rot. Bonds4

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

3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 100624676) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID100624676
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCSC1(CN2CCC[C@H](c3nnc4ccccn34)C2)CC1
InChIInChI=1S/C16H22N4S/c1-21-16(7-8-16)12-19-9-4-5-13(11-19)15-18-17-14-6-2-3-10-20(14)15/h2-3,6,10,13H,4-5,7-9,11-12H2,1H3/t13-/m0/s1
InChIKeyQKYCSTDZGVLAGU-ZDUSSCGKSA-N
XLogP2.80
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136306
1-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 111436337
3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99942074
4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine
CID 77097111
3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 75514760
3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86797164
3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 124750094
N-ethyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99961247
3-(1-spiro[2.3]hexan-5-ylsulfonylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 154786862
3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 128505680
3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol
CID 126782854
3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124907243

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 100624676) is 3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is CSC1(CN2CCC[C@H](c3nnc4ccccn34)C2)CC1.
What is the InChIKey of 3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QKYCSTDZGVLAGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4S/c1-21-16(7-8-16)12-19-9-4-5-13(11-19)15-18-17-14-6-2-3-10-20(14)15/h2-3,6,10,13H,4-5,7-9,11-12H2,1H3/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 302.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 100624676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).