3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C15H11BrN6 — CID 1336337

IUPAC3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cnn(-c2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1
InChIInChI=1S/C15H11BrN6/c1-10-8-17-21(9-10)14-7-6-13-18-19-15(22(13)20-14)11-2-4-12(16)5-3-11/h2-9H,1H3
InChIKeyJHOIOEDHWJAHGA-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.05
Rot. Bonds2

About 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 1336337) has the molecular formula C15H11BrN6 and a molecular weight of 355.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID1336337
Molecular FormulaC15H11BrN6
Molecular Weight355.20 g/mol
Exact Mass354.02
IUPAC Name3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cnn(-c2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1
InChIInChI=1S/C15H11BrN6/c1-10-8-17-21(9-10)14-7-6-13-18-19-15(22(13)20-14)11-2-4-12(16)5-3-11/h2-9H,1H3
InChIKeyJHOIOEDHWJAHGA-UHFFFAOYSA-N
XLogP3.05
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 1336337) is 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cnn(-c2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1.
What is the InChIKey of 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JHOIOEDHWJAHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN6/c1-10-8-17-21(9-10)14-7-6-13-18-19-15(22(13)20-14)11-2-4-12(16)5-3-11/h2-9H,1H3.
What are the key properties of 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 355.20 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-(4-methylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 1336337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).