5-[(3-bromophenoxy)methyl]-2-methyltetrazole

C9H9BrN4O — CID 107043105

IUPAC5-[(3-bromophenoxy)methyl]-2-methyltetrazole
SMILESCn1nnc(COc2cccc(Br)c2)n1
InChIInChI=1S/C9H9BrN4O/c1-14-12-9(11-13-14)6-15-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3
InChIKeyZYYQYHJUAQCPKD-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.55
Rot. Bonds3

About 5-[(3-bromophenoxy)methyl]-2-methyltetrazole

5-[(3-bromophenoxy)methyl]-2-methyltetrazole (PubChem CID 107043105) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-2-methyltetrazole
PubChem CID107043105
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name5-[(3-bromophenoxy)methyl]-2-methyltetrazole
SMILESCn1nnc(COc2cccc(Br)c2)n1
InChIInChI=1S/C9H9BrN4O/c1-14-12-9(11-13-14)6-15-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3
InChIKeyZYYQYHJUAQCPKD-UHFFFAOYSA-N
XLogP1.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
CID 107043127
2-[(3-bromophenoxy)methyl]-1,5-dimethylimidazole
CID 117188386
1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048405
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 107043044
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683464

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-2-methyltetrazole (CID 107043105) is 5-[(3-bromophenoxy)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-2-methyltetrazole is Cn1nnc(COc2cccc(Br)c2)n1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-2-methyltetrazole?
The InChIKey is ZYYQYHJUAQCPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-14-12-9(11-13-14)6-15-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3.
What are the key properties of 5-[(3-bromophenoxy)methyl]-2-methyltetrazole?
5-[(3-bromophenoxy)methyl]-2-methyltetrazole has a molecular weight of 269.10 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-2-methyltetrazole is sourced from PubChem (CID 107043105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).