3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine

C13H18N4S — CID 55111148

IUPAC3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1nc(-c2cccs2)nc1CC1CCCNC1
InChIInChI=1S/C13H18N4S/c1-17-12(8-10-4-2-6-14-9-10)15-13(16-17)11-5-3-7-18-11/h3,5,7,10,14H,2,4,6,8-9H2,1H3
InChIKeyZAIJKXKBZJJHEB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.09
Rot. Bonds3

About 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine

3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 55111148) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID55111148
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1nc(-c2cccs2)nc1CC1CCCNC1
InChIInChI=1S/C13H18N4S/c1-17-12(8-10-4-2-6-14-9-10)15-13(16-17)11-5-3-7-18-11/h3,5,7,10,14H,2,4,6,8-9H2,1H3
InChIKeyZAIJKXKBZJJHEB-UHFFFAOYSA-N
XLogP2.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 62734713
3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676347
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine
CID 62358053
1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672891
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120858346
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62734137
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676351
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
CID 81046969

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine (CID 55111148) is 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine is Cn1nc(-c2cccs2)nc1CC1CCCNC1.
What is the InChIKey of 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is ZAIJKXKBZJJHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-17-12(8-10-4-2-6-14-9-10)15-13(16-17)11-5-3-7-18-11/h3,5,7,10,14H,2,4,6,8-9H2,1H3.
What are the key properties of 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 262.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 55111148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).