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

C12H16N4S — CID 62734713

IUPAC3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
SMILESc1csc(-c2n[nH]c(CC3CCCNC3)n2)c1
InChIInChI=1S/C12H16N4S/c1-3-9(8-13-5-1)7-11-14-12(16-15-11)10-4-2-6-17-10/h2,4,6,9,13H,1,3,5,7-8H2,(H,14,15,16)
InChIKeyROZNBHJNVHUQSS-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.08
Rot. Bonds3

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

3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine (PubChem CID 62734713) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
PubChem CID62734713
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
SMILESc1csc(-c2n[nH]c(CC3CCCNC3)n2)c1
InChIInChI=1S/C12H16N4S/c1-3-9(8-13-5-1)7-11-14-12(16-15-11)10-4-2-6-17-10/h2,4,6,9,13H,1,3,5,7-8H2,(H,14,15,16)
InChIKeyROZNBHJNVHUQSS-UHFFFAOYSA-N
XLogP2.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
CID 81046969
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 55111148
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 65155343
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
CID 61337137
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 62733596
4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120858346
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)azocane
CID 114239965
5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62732819

Frequently Asked Questions

What is the IUPAC name of 3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
The IUPAC name of 3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine (CID 62734713) is 3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine.
What is the SMILES notation for 3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
The canonical SMILES for 3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine is c1csc(-c2n[nH]c(CC3CCCNC3)n2)c1.
What is the InChIKey of 3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
The InChIKey is ROZNBHJNVHUQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-9(8-13-5-1)7-11-14-12(16-15-11)10-4-2-6-17-10/h2,4,6,9,13H,1,3,5,7-8H2,(H,14,15,16).
What are the key properties of 3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine has a molecular weight of 248.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine is sourced from PubChem (CID 62734713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).