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

C11H21N5S — CID 6456471

IUPAC1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCSc1nnc(CCN2CCN(C)CC2)n1C
InChIInChI=1S/C11H21N5S/c1-14-6-8-16(9-7-14)5-4-10-12-13-11(17-3)15(10)2/h4-9H2,1-3H3
InChIKeyNBZBFMOICVRZMT-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.33
Rot. Bonds4

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

1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine (PubChem CID 6456471) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine
PubChem CID6456471
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCSc1nnc(CCN2CCN(C)CC2)n1C
InChIInChI=1S/C11H21N5S/c1-14-6-8-16(9-7-14)5-4-10-12-13-11(17-3)15(10)2/h4-9H2,1-3H3
InChIKeyNBZBFMOICVRZMT-UHFFFAOYSA-N
XLogP0.33
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine (CID 6456471) is 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine is CSc1nnc(CCN2CCN(C)CC2)n1C.
What is the InChIKey of 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine?
The InChIKey is NBZBFMOICVRZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-14-6-8-16(9-7-14)5-4-10-12-13-11(17-3)15(10)2/h4-9H2,1-3H3.
What are the key properties of 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine?
1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine has a molecular weight of 255.39 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 6456471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).