5-bromo-2-phenyltetrazole

C7H5BrN4 — CID 69031180

IUPAC5-bromo-2-phenyltetrazole
SMILESBrc1nnn(-c2ccccc2)n1
InChIInChI=1S/C7H5BrN4/c8-7-9-11-12(10-7)6-4-2-1-3-5-6/h1-5H
InChIKeyUHCMYPKNHYMQHP-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.42
Rot. Bonds1

About 5-bromo-2-phenyltetrazole

5-bromo-2-phenyltetrazole (PubChem CID 69031180) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-bromo-2-phenyltetrazole.

Molecular Properties

Compound Name5-bromo-2-phenyltetrazole
PubChem CID69031180
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name5-bromo-2-phenyltetrazole
SMILESBrc1nnn(-c2ccccc2)n1
InChIInChI=1S/C7H5BrN4/c8-7-9-11-12(10-7)6-4-2-1-3-5-6/h1-5H
InChIKeyUHCMYPKNHYMQHP-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenyltetrazole?
The IUPAC name of 5-bromo-2-phenyltetrazole (CID 69031180) is 5-bromo-2-phenyltetrazole.
What is the SMILES notation for 5-bromo-2-phenyltetrazole?
The canonical SMILES for 5-bromo-2-phenyltetrazole is Brc1nnn(-c2ccccc2)n1.
What is the InChIKey of 5-bromo-2-phenyltetrazole?
The InChIKey is UHCMYPKNHYMQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-7-9-11-12(10-7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-bromo-2-phenyltetrazole?
5-bromo-2-phenyltetrazole has a molecular weight of 225.05 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyltetrazole is sourced from PubChem (CID 69031180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).