1-methyl-5-(5-phenylthiophen-2-yl)tetrazole

C12H10N4S — CID 54260556

IUPAC1-methyl-5-(5-phenylthiophen-2-yl)tetrazole
SMILESCn1nnnc1-c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H10N4S/c1-16-12(13-14-15-16)11-8-7-10(17-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRDEWQLSRPDJLQZ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.61
Rot. Bonds2

About 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole

1-methyl-5-(5-phenylthiophen-2-yl)tetrazole (PubChem CID 54260556) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(5-phenylthiophen-2-yl)tetrazole
PubChem CID54260556
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name1-methyl-5-(5-phenylthiophen-2-yl)tetrazole
SMILESCn1nnnc1-c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H10N4S/c1-16-12(13-14-15-16)11-8-7-10(17-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRDEWQLSRPDJLQZ-UHFFFAOYSA-N
XLogP2.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole?
The IUPAC name of 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole (CID 54260556) is 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole.
What is the SMILES notation for 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole?
The canonical SMILES for 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole is Cn1nnnc1-c1ccc(-c2ccccc2)s1.
What is the InChIKey of 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole?
The InChIKey is RDEWQLSRPDJLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-16-12(13-14-15-16)11-8-7-10(17-11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole?
1-methyl-5-(5-phenylthiophen-2-yl)tetrazole has a molecular weight of 242.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-phenylthiophen-2-yl)tetrazole is sourced from PubChem (CID 54260556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).