6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine

C11H6BrN9 — CID 25489356

IUPAC6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine
SMILESBrc1ccc(-c2nnn(-c3ccc4nnnn4n3)n2)cc1
InChIInChI=1S/C11H6BrN9/c12-8-3-1-7(2-4-8)11-14-18-21(16-11)10-6-5-9-13-17-19-20(9)15-10/h1-6H
InChIKeyJTJFMESEGZWUPN-UHFFFAOYSA-N
MW344.14 g/mol
LogP0.92
Rot. Bonds2

About 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine

6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 25489356) has the molecular formula C11H6BrN9 and a molecular weight of 344.14 g/mol. Its IUPAC name is 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine
PubChem CID25489356
Molecular FormulaC11H6BrN9
Molecular Weight344.14 g/mol
Exact Mass342.99
IUPAC Name6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine
SMILESBrc1ccc(-c2nnn(-c3ccc4nnnn4n3)n2)cc1
InChIInChI=1S/C11H6BrN9/c12-8-3-1-7(2-4-8)11-14-18-21(16-11)10-6-5-9-13-17-19-20(9)15-10/h1-6H
InChIKeyJTJFMESEGZWUPN-UHFFFAOYSA-N
XLogP0.92
TPSA99.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.14
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4-bromophenyl)-2-phenyltetrazole
CID 11370072
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine
CID 73213040
2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine
CID 30176128
5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole
CID 52727894
6-methyltetrazolo[1,5-b]pyridazine
CID 20742984
N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 133292138
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133444379
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine
CID 114042524
N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide
CID 8598069
5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole
CID 2797241

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine (CID 25489356) is 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine is Brc1ccc(-c2nnn(-c3ccc4nnnn4n3)n2)cc1.
What is the InChIKey of 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is JTJFMESEGZWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN9/c12-8-3-1-7(2-4-8)11-14-18-21(16-11)10-6-5-9-13-17-19-20(9)15-10/h1-6H.
What are the key properties of 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine?
6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 344.14 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 25489356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).