5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine

C11H7BrN4 — CID 91867873

IUPAC5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine
SMILESBrc1cc2c(-c3ccccc3)[nH]nc2nn1
InChIInChI=1S/C11H7BrN4/c12-9-6-8-10(7-4-2-1-3-5-7)14-16-11(8)15-13-9/h1-6H,(H,14,15,16)
InChIKeyWRMMOUBKQLDASO-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.78
Rot. Bonds1

About 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine

5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine (PubChem CID 91867873) has the molecular formula C11H7BrN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine
PubChem CID91867873
Molecular FormulaC11H7BrN4
Molecular Weight275.11 g/mol
Exact Mass273.99
IUPAC Name5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine
SMILESBrc1cc2c(-c3ccccc3)[nH]nc2nn1
InChIInChI=1S/C11H7BrN4/c12-9-6-8-10(7-4-2-1-3-5-7)14-16-11(8)15-13-9/h1-6H,(H,14,15,16)
InChIKeyWRMMOUBKQLDASO-UHFFFAOYSA-N
XLogP2.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine?
The IUPAC name of 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine (CID 91867873) is 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine is Brc1cc2c(-c3ccccc3)[nH]nc2nn1.
What is the InChIKey of 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine?
The InChIKey is WRMMOUBKQLDASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4/c12-9-6-8-10(7-4-2-1-3-5-7)14-16-11(8)15-13-9/h1-6H,(H,14,15,16).
What are the key properties of 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine?
5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine has a molecular weight of 275.11 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 91867873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).