3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine

C16H21N5S — CID 45243217

IUPAC3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine
SMILESc1cncc(-c2cn(C3CCN(C4CCSC4)CC3)nn2)c1
InChIInChI=1S/C16H21N5S/c1-2-13(10-17-6-1)16-11-21(19-18-16)14-3-7-20(8-4-14)15-5-9-22-12-15/h1-2,6,10-11,14-15H,3-5,7-9,12H2
InChIKeyVKBQSICQHAPUIE-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.48
Rot. Bonds3

About 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine

3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine (PubChem CID 45243217) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine
PubChem CID45243217
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine
SMILESc1cncc(-c2cn(C3CCN(C4CCSC4)CC3)nn2)c1
InChIInChI=1S/C16H21N5S/c1-2-13(10-17-6-1)16-11-21(19-18-16)14-3-7-20(8-4-14)15-5-9-22-12-15/h1-2,6,10-11,14-15H,3-5,7-9,12H2
InChIKeyVKBQSICQHAPUIE-UHFFFAOYSA-N
XLogP2.48
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]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

4-[4-(3-chlorophenyl)triazol-1-yl]-1-(thian-4-yl)piperidine
CID 46994273
3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine
CID 46994455
1-adamantyl-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
CID 46989611
(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
CID 46984125
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
CID 30937423
3-pyridin-3-yl-4-(thiolan-3-yl)-1H-1,2,4-triazole-5-thione
CID 103063641
2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine
CID 174616715
[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29000933
[1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]triazol-4-yl]methylurea
CID 29254255
ethane;3-(1-methyltriazol-4-yl)pyridine
CID 159786313
(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide
CID 99987115

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine?
The IUPAC name of 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine (CID 45243217) is 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine?
The canonical SMILES for 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine is c1cncc(-c2cn(C3CCN(C4CCSC4)CC3)nn2)c1.
What is the InChIKey of 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine?
The InChIKey is VKBQSICQHAPUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-2-13(10-17-6-1)16-11-21(19-18-16)14-3-7-20(8-4-14)15-5-9-22-12-15/h1-2,6,10-11,14-15H,3-5,7-9,12H2.
What are the key properties of 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine?
3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine has a molecular weight of 315.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(thiolan-3-yl)piperidin-4-yl]triazol-4-yl]pyridine is sourced from PubChem (CID 45243217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).