5-(3-bromophenyl)-1-methyltetrazole

C8H7BrN4 — CID 66904947

IUPAC5-(3-bromophenyl)-1-methyltetrazole
SMILESCn1nnnc1-c1cccc(Br)c1
InChIInChI=1S/C8H7BrN4/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKeyVWXGFKACTXEKHR-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.64
Rot. Bonds1

About 5-(3-bromophenyl)-1-methyltetrazole

5-(3-bromophenyl)-1-methyltetrazole (PubChem CID 66904947) has the molecular formula C8H7BrN4 and a molecular weight of 239.08 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-1-methyltetrazole
PubChem CID66904947
Molecular FormulaC8H7BrN4
Molecular Weight239.08 g/mol
Exact Mass237.99
IUPAC Name5-(3-bromophenyl)-1-methyltetrazole
SMILESCn1nnnc1-c1cccc(Br)c1
InChIInChI=1S/C8H7BrN4/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKeyVWXGFKACTXEKHR-UHFFFAOYSA-N
XLogP1.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1-methyltetrazole?
The IUPAC name of 5-(3-bromophenyl)-1-methyltetrazole (CID 66904947) is 5-(3-bromophenyl)-1-methyltetrazole.
What is the SMILES notation for 5-(3-bromophenyl)-1-methyltetrazole?
The canonical SMILES for 5-(3-bromophenyl)-1-methyltetrazole is Cn1nnnc1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-1-methyltetrazole?
The InChIKey is VWXGFKACTXEKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,1H3.
What are the key properties of 5-(3-bromophenyl)-1-methyltetrazole?
5-(3-bromophenyl)-1-methyltetrazole has a molecular weight of 239.08 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1-methyltetrazole is sourced from PubChem (CID 66904947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).