3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C10H8Br2N6 — CID 657747

IUPAC3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nn(-c2ccc3nnc(Br)n3n2)c(C)c1Br
InChIInChI=1S/C10H8Br2N6/c1-5-9(11)6(2)17(15-5)8-4-3-7-13-14-10(12)18(7)16-8/h3-4H,1-2H3
InChIKeyHOTPKBDJPKKLEH-UHFFFAOYSA-N
MW372.02 g/mol
LogP2.45
Rot. Bonds1

About 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 657747) has the molecular formula C10H8Br2N6 and a molecular weight of 372.02 g/mol. Its IUPAC name is 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID657747
Molecular FormulaC10H8Br2N6
Molecular Weight372.02 g/mol
Exact Mass369.92
IUPAC Name3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nn(-c2ccc3nnc(Br)n3n2)c(C)c1Br
InChIInChI=1S/C10H8Br2N6/c1-5-9(11)6(2)17(15-5)8-4-3-7-13-14-10(12)18(7)16-8/h3-4H,1-2H3
InChIKeyHOTPKBDJPKKLEH-UHFFFAOYSA-N
XLogP2.45
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,5-Dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 909959
6-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 702232
2-Bromo-5,7-dimethylpyrazolo(1,5-a)pyrimidine
CID 76852212
3-Bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 2323996
3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-5-amine
CID 16767484
2-(3,5-Dimethylpyrazol-1-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 56673919
6-(3,5-Dimethylpyrazol-1-yl)tetrazolo[1,5-b]pyridazine
CID 321083
2-Bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine
CID 177328889
5-Bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 134609977
6-(3,5-Dimethyl-4-propylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 139524458
3-Methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 153344668
3-Ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 153344675

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 657747) is 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nn(-c2ccc3nnc(Br)n3n2)c(C)c1Br.
What is the InChIKey of 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HOTPKBDJPKKLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N6/c1-5-9(11)6(2)17(15-5)8-4-3-7-13-14-10(12)18(7)16-8/h3-4H,1-2H3.
What are the key properties of 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 372.02 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 657747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).