1-methyl-5-(2-methylthiophen-3-yl)tetrazole

C7H8N4S — CID 54007936

IUPAC1-methyl-5-(2-methylthiophen-3-yl)tetrazole
SMILESCc1sccc1-c1nnnn1C
InChIInChI=1S/C7H8N4S/c1-5-6(3-4-12-5)7-8-9-10-11(7)2/h3-4H,1-2H3
InChIKeyKQFIJDUMQKMMHJ-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.25
Rot. Bonds1

About 1-methyl-5-(2-methylthiophen-3-yl)tetrazole

1-methyl-5-(2-methylthiophen-3-yl)tetrazole (PubChem CID 54007936) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-methyl-5-(2-methylthiophen-3-yl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(2-methylthiophen-3-yl)tetrazole
PubChem CID54007936
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name1-methyl-5-(2-methylthiophen-3-yl)tetrazole
SMILESCc1sccc1-c1nnnn1C
InChIInChI=1S/C7H8N4S/c1-5-6(3-4-12-5)7-8-9-10-11(7)2/h3-4H,1-2H3
InChIKeyKQFIJDUMQKMMHJ-UHFFFAOYSA-N
XLogP1.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylthiophen-3-yl)tetrazole?
The IUPAC name of 1-methyl-5-(2-methylthiophen-3-yl)tetrazole (CID 54007936) is 1-methyl-5-(2-methylthiophen-3-yl)tetrazole.
What is the SMILES notation for 1-methyl-5-(2-methylthiophen-3-yl)tetrazole?
The canonical SMILES for 1-methyl-5-(2-methylthiophen-3-yl)tetrazole is Cc1sccc1-c1nnnn1C.
What is the InChIKey of 1-methyl-5-(2-methylthiophen-3-yl)tetrazole?
The InChIKey is KQFIJDUMQKMMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-5-6(3-4-12-5)7-8-9-10-11(7)2/h3-4H,1-2H3.
What are the key properties of 1-methyl-5-(2-methylthiophen-3-yl)tetrazole?
1-methyl-5-(2-methylthiophen-3-yl)tetrazole has a molecular weight of 180.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylthiophen-3-yl)tetrazole is sourced from PubChem (CID 54007936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).