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

C6H5BrN4 — CID 139026373

IUPAC6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1nc2ccc(Br)nn2n1
InChIInChI=1S/C6H5BrN4/c1-4-8-6-3-2-5(7)10-11(6)9-4/h2-3H,1H3
InChIKeyBYDXKKMMFGJTKD-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.20
Rot. Bonds

About 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine

6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 139026373) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID139026373
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1nc2ccc(Br)nn2n1
InChIInChI=1S/C6H5BrN4/c1-4-8-6-3-2-5(7)10-11(6)9-4/h2-3H,1H3
InChIKeyBYDXKKMMFGJTKD-UHFFFAOYSA-N
XLogP1.20
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 139026373) is 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine is Cc1nc2ccc(Br)nn2n1.
What is the InChIKey of 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is BYDXKKMMFGJTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c1-4-8-6-3-2-5(7)10-11(6)9-4/h2-3H,1H3.
What are the key properties of 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 213.04 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 139026373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).