5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole

C11H17N7S — CID 136836456

IUPAC5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole
SMILESCc1nnsc1-c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C11H17N7S/c1-6-4-18(5-7(2)12-6)11-13-10(15-16-11)9-8(3)14-17-19-9/h6-7,12H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyACWJIYUXEBZLLY-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.82
Rot. Bonds2

About 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole

5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole (PubChem CID 136836456) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole
PubChem CID136836456
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole
SMILESCc1nnsc1-c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C11H17N7S/c1-6-4-18(5-7(2)12-6)11-13-10(15-16-11)9-8(3)14-17-19-9/h6-7,12H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyACWJIYUXEBZLLY-UHFFFAOYSA-N
XLogP0.82
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-1-[5-(3-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797254
3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797455
3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797402
4-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-methylphenol
CID 136750843
1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797447
[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 136836621
1-[5-(3-chloro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797405
2-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-fluorophenol
CID 136678095
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797309
1-[5-(2-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797316
1-[5-(4-propan-2-ylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 136758236
3,5-dimethyl-1-[5-(2-methylsulfanylphenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797359

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole?
The IUPAC name of 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole (CID 136836456) is 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole.
What is the SMILES notation for 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole?
The canonical SMILES for 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole is Cc1nnsc1-c1nc(N2CC(C)NC(C)C2)n[nH]1.
What is the InChIKey of 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole?
The InChIKey is ACWJIYUXEBZLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S/c1-6-4-18(5-7(2)12-6)11-13-10(15-16-11)9-8(3)14-17-19-9/h6-7,12H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole?
5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole has a molecular weight of 279.37 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole is sourced from PubChem (CID 136836456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).