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

C13H19N5S — CID 62735249

IUPAC1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCC(c1nc(-c2cccs2)nn1C)N1CCNCC1
InChIInChI=1S/C13H19N5S/c1-10(18-7-5-14-6-8-18)13-15-12(16-17(13)2)11-4-3-9-19-11/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyDXMFIEZZHBPWIF-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.51
Rot. Bonds3

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

1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine (PubChem CID 62735249) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
PubChem CID62735249
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCC(c1nc(-c2cccs2)nn1C)N1CCNCC1
InChIInChI=1S/C13H19N5S/c1-10(18-7-5-14-6-8-18)13-15-12(16-17(13)2)11-4-3-9-19-11/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyDXMFIEZZHBPWIF-UHFFFAOYSA-N
XLogP1.51
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 62722324
N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 62733947
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 62733943
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine
CID 63126368
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 55111148
1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
4-piperazin-1-yl-2,5-dithiophen-2-ylthieno[2,3-d]pyrimidine;hydrochloride
CID 118721288
4-piperazin-1-yl-2-thiophen-2-ylpyrimidine
CID 82295356
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62733191
1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672891
2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335839
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine (CID 62735249) is 1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine is CC(c1nc(-c2cccs2)nn1C)N1CCNCC1.
What is the InChIKey of 1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
The InChIKey is DXMFIEZZHBPWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-10(18-7-5-14-6-8-18)13-15-12(16-17(13)2)11-4-3-9-19-11/h3-4,9-10,14H,5-8H2,1-2H3.
What are the key properties of 1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine has a molecular weight of 277.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 62735249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).