5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole

C8H10N4S — CID 89032223

IUPAC5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole
SMILESCc1nnn(Cc2ccc(C)s2)n1
InChIInChI=1S/C8H10N4S/c1-6-3-4-8(13-6)5-12-10-7(2)9-11-12/h3-4H,5H2,1-2H3
InChIKeyIDUYIDLLQZQJQO-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.40
Rot. Bonds2

About 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole

5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole (PubChem CID 89032223) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole.

Molecular Properties

Compound Name5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole
PubChem CID89032223
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole
SMILESCc1nnn(Cc2ccc(C)s2)n1
InChIInChI=1S/C8H10N4S/c1-6-3-4-8(13-6)5-12-10-7(2)9-11-12/h3-4H,5H2,1-2H3
InChIKeyIDUYIDLLQZQJQO-UHFFFAOYSA-N
XLogP1.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole?
The IUPAC name of 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole (CID 89032223) is 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole.
What is the SMILES notation for 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole?
The canonical SMILES for 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole is Cc1nnn(Cc2ccc(C)s2)n1.
What is the InChIKey of 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole?
The InChIKey is IDUYIDLLQZQJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6-3-4-8(13-6)5-12-10-7(2)9-11-12/h3-4H,5H2,1-2H3.
What are the key properties of 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole?
5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole has a molecular weight of 194.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole is sourced from PubChem (CID 89032223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).