5-ethyl-1-(2-methylsulfanylethyl)tetrazole

C6H12N4S — CID 131224314

IUPAC5-ethyl-1-(2-methylsulfanylethyl)tetrazole
SMILESCCc1nnnn1CCSC
InChIInChI=1S/C6H12N4S/c1-3-6-7-8-9-10(6)4-5-11-2/h3-5H2,1-2H3
InChIKeyMNAFAWJSLWGUMW-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.60
Rot. Bonds4

About 5-ethyl-1-(2-methylsulfanylethyl)tetrazole

5-ethyl-1-(2-methylsulfanylethyl)tetrazole (PubChem CID 131224314) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 5-ethyl-1-(2-methylsulfanylethyl)tetrazole.

Molecular Properties

Compound Name5-ethyl-1-(2-methylsulfanylethyl)tetrazole
PubChem CID131224314
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name5-ethyl-1-(2-methylsulfanylethyl)tetrazole
SMILESCCc1nnnn1CCSC
InChIInChI=1S/C6H12N4S/c1-3-6-7-8-9-10(6)4-5-11-2/h3-5H2,1-2H3
InChIKeyMNAFAWJSLWGUMW-UHFFFAOYSA-N
XLogP0.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-(2-methylsulfanylethyl)tetrazole 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 5-ethyl-1-(2-methylsulfanylethyl)tetrazole?
The IUPAC name of 5-ethyl-1-(2-methylsulfanylethyl)tetrazole (CID 131224314) is 5-ethyl-1-(2-methylsulfanylethyl)tetrazole.
What is the SMILES notation for 5-ethyl-1-(2-methylsulfanylethyl)tetrazole?
The canonical SMILES for 5-ethyl-1-(2-methylsulfanylethyl)tetrazole is CCc1nnnn1CCSC.
What is the InChIKey of 5-ethyl-1-(2-methylsulfanylethyl)tetrazole?
The InChIKey is MNAFAWJSLWGUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-3-6-7-8-9-10(6)4-5-11-2/h3-5H2,1-2H3.
What are the key properties of 5-ethyl-1-(2-methylsulfanylethyl)tetrazole?
5-ethyl-1-(2-methylsulfanylethyl)tetrazole has a molecular weight of 172.26 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methylsulfanylethyl)tetrazole is sourced from PubChem (CID 131224314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).