5-(5-bromofuran-2-yl)-1-methyltetrazole

C6H5BrN4O — CID 57166960

IUPAC5-(5-bromofuran-2-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1ccc(Br)o1
InChIInChI=1S/C6H5BrN4O/c1-11-6(8-9-10-11)4-2-3-5(7)12-4/h2-3H,1H3
InChIKeyXWYZVPFBEGUDND-UHFFFAOYSA-N
MW229.04 g/mol
LogP1.23
Rot. Bonds1

About 5-(5-bromofuran-2-yl)-1-methyltetrazole

5-(5-bromofuran-2-yl)-1-methyltetrazole (PubChem CID 57166960) has the molecular formula C6H5BrN4O and a molecular weight of 229.04 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-1-methyltetrazole
PubChem CID57166960
Molecular FormulaC6H5BrN4O
Molecular Weight229.04 g/mol
Exact Mass227.96
IUPAC Name5-(5-bromofuran-2-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1ccc(Br)o1
InChIInChI=1S/C6H5BrN4O/c1-11-6(8-9-10-11)4-2-3-5(7)12-4/h2-3H,1H3
InChIKeyXWYZVPFBEGUDND-UHFFFAOYSA-N
XLogP1.23
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-1-methyltetrazole?
The IUPAC name of 5-(5-bromofuran-2-yl)-1-methyltetrazole (CID 57166960) is 5-(5-bromofuran-2-yl)-1-methyltetrazole.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-1-methyltetrazole?
The canonical SMILES for 5-(5-bromofuran-2-yl)-1-methyltetrazole is Cn1nnnc1-c1ccc(Br)o1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-1-methyltetrazole?
The InChIKey is XWYZVPFBEGUDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4O/c1-11-6(8-9-10-11)4-2-3-5(7)12-4/h2-3H,1H3.
What are the key properties of 5-(5-bromofuran-2-yl)-1-methyltetrazole?
5-(5-bromofuran-2-yl)-1-methyltetrazole has a molecular weight of 229.04 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-1-methyltetrazole is sourced from PubChem (CID 57166960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).