1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole

C13H12N4S — CID 2630172

IUPAC1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
SMILESCn1nnnc1SCc1cccc2ccccc12
InChIInChI=1S/C13H12N4S/c1-17-13(14-15-16-17)18-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyOKNASWAXXJJEFR-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.66
Rot. Bonds3

About 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole

1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole (PubChem CID 2630172) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
PubChem CID2630172
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
SMILESCn1nnnc1SCc1cccc2ccccc12
InChIInChI=1S/C13H12N4S/c1-17-13(14-15-16-17)18-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyOKNASWAXXJJEFR-UHFFFAOYSA-N
XLogP2.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole?
The IUPAC name of 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole (CID 2630172) is 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole.
What is the SMILES notation for 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole?
The canonical SMILES for 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole is Cn1nnnc1SCc1cccc2ccccc12.
What is the InChIKey of 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole?
The InChIKey is OKNASWAXXJJEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-17-13(14-15-16-17)18-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3.
What are the key properties of 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole?
1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole has a molecular weight of 256.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(naphthalen-1-ylmethylsulfanyl)tetrazole is sourced from PubChem (CID 2630172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).