3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C17H26N4 — CID 124606532

IUPAC3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=C[C@H](N2CCCC[C@H]2c2nnc3n2CCCC3)CCC1
InChIInChI=1S/C17H26N4/c1-2-8-14(9-3-1)20-12-6-4-10-15(20)17-19-18-16-11-5-7-13-21(16)17/h2,8,14-15H,1,3-7,9-13H2/t14-,15-/m0/s1
InChIKeyNMIYMHUISNUAON-GJZGRUSLSA-N
MW286.42 g/mol
LogP3.25
Rot. Bonds2

About 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 124606532) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID124606532
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=C[C@H](N2CCCC[C@H]2c2nnc3n2CCCC3)CCC1
InChIInChI=1S/C17H26N4/c1-2-8-14(9-3-1)20-12-6-4-10-15(20)17-19-18-16-11-5-7-13-21(16)17/h2,8,14-15H,1,3-7,9-13H2/t14-,15-/m0/s1
InChIKeyNMIYMHUISNUAON-GJZGRUSLSA-N
XLogP3.25
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopent-2-en-1-yl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 51308003
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 94022364
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 94022365
3-[1-(2-cycloheptyloxyethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 102557998
1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile
CID 114620002
3-[(2R)-1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 97253238
3-(azocan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 114239810
3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 114239815
2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)cyclopentan-1-amine
CID 64818363
(2-chloro-4-fluorophenyl)-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 126795499
(2-chloro-4-fluorophenyl)-[(2S)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 99818328
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117148490

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 124606532) is 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is C1=C[C@H](N2CCCC[C@H]2c2nnc3n2CCCC3)CCC1.
What is the InChIKey of 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NMIYMHUISNUAON-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-8-14(9-3-1)20-12-6-4-10-15(20)17-19-18-16-11-5-7-13-21(16)17/h2,8,14-15H,1,3-7,9-13H2/t14-,15-/m0/s1.
What are the key properties of 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 286.42 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 124606532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).