2-bromo-[1,2,4]triazolo[1,5-b]pyridazine

C5H3BrN4 — CID 170901694

IUPAC2-bromo-[1,2,4]triazolo[1,5-b]pyridazine
SMILESBrc1nc2cccnn2n1
InChIInChI=1S/C5H3BrN4/c6-5-8-4-2-1-3-7-10(4)9-5/h1-3H
InChIKeyWWDJZCKLVFGXDA-UHFFFAOYSA-N
MW199.01 g/mol
LogP0.89
Rot. Bonds

About 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine

2-bromo-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 170901694) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-bromo-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID170901694
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name2-bromo-[1,2,4]triazolo[1,5-b]pyridazine
SMILESBrc1nc2cccnn2n1
InChIInChI=1S/C5H3BrN4/c6-5-8-4-2-1-3-7-10(4)9-5/h1-3H
InChIKeyWWDJZCKLVFGXDA-UHFFFAOYSA-N
XLogP0.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine (CID 170901694) is 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine is Brc1nc2cccnn2n1.
What is the InChIKey of 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is WWDJZCKLVFGXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-5-8-4-2-1-3-7-10(4)9-5/h1-3H.
What are the key properties of 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine?
2-bromo-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 199.01 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 170901694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).