4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine

C15H22N4S — CID 63126368

IUPAC4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine
SMILESCCCC1(c2nc(-c3cccs3)nn2C)CCNCC1
InChIInChI=1S/C15H22N4S/c1-3-6-15(7-9-16-10-8-15)14-17-13(18-19(14)2)12-5-4-11-20-12/h4-5,11,16H,3,6-10H2,1-2H3
InChIKeyVWUDLSZQOIKONX-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.96
Rot. Bonds4

About 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine

4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine (PubChem CID 63126368) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine.

Molecular Properties

Compound Name4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine
PubChem CID63126368
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine
SMILESCCCC1(c2nc(-c3cccs3)nn2C)CCNCC1
InChIInChI=1S/C15H22N4S/c1-3-6-15(7-9-16-10-8-15)14-17-13(18-19(14)2)12-5-4-11-20-12/h4-5,11,16H,3,6-10H2,1-2H3
InChIKeyVWUDLSZQOIKONX-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62733191
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine
CID 63135950
1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 62735249
1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672891
5-(3-ethylpyrrolidin-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55165560
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 55111148
[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62734137
4-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)piperidine
CID 63124063
N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 62733947
5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120955600
3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 65285410
4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol
CID 81043389

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine?
The IUPAC name of 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine (CID 63126368) is 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine.
What is the SMILES notation for 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine?
The canonical SMILES for 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine is CCCC1(c2nc(-c3cccs3)nn2C)CCNCC1.
What is the InChIKey of 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine?
The InChIKey is VWUDLSZQOIKONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-6-15(7-9-16-10-8-15)14-17-13(18-19(14)2)12-5-4-11-20-12/h4-5,11,16H,3,6-10H2,1-2H3.
What are the key properties of 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine?
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine has a molecular weight of 290.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine is sourced from PubChem (CID 63126368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).