6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine

C13H12BrN5O — CID 115402181

IUPAC6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine
SMILESCC(C)c1cc(Br)ccc1Oc1ccc2nnnn2n1
InChIInChI=1S/C13H12BrN5O/c1-8(2)10-7-9(14)3-4-11(10)20-13-6-5-12-15-17-18-19(12)16-13/h3-8H,1-2H3
InChIKeyWXKLMLFPXIOHEV-UHFFFAOYSA-N
MW334.18 g/mol
LogP3.20
Rot. Bonds3

About 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine

6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine (PubChem CID 115402181) has the molecular formula C13H12BrN5O and a molecular weight of 334.18 g/mol. Its IUPAC name is 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine
PubChem CID115402181
Molecular FormulaC13H12BrN5O
Molecular Weight334.18 g/mol
Exact Mass333.02
IUPAC Name6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine
SMILESCC(C)c1cc(Br)ccc1Oc1ccc2nnnn2n1
InChIInChI=1S/C13H12BrN5O/c1-8(2)10-7-9(14)3-4-11(10)20-13-6-5-12-15-17-18-19(12)16-13/h3-8H,1-2H3
InChIKeyWXKLMLFPXIOHEV-UHFFFAOYSA-N
XLogP3.20
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline
CID 78984539
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
CID 167738069
6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 115401558
6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
CID 115403123
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
5-(4-bromo-2-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 115402897

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine (CID 115402181) is 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine is CC(C)c1cc(Br)ccc1Oc1ccc2nnnn2n1.
What is the InChIKey of 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine?
The InChIKey is WXKLMLFPXIOHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5O/c1-8(2)10-7-9(14)3-4-11(10)20-13-6-5-12-15-17-18-19(12)16-13/h3-8H,1-2H3.
What are the key properties of 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine?
6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine has a molecular weight of 334.18 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 115402181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).