4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol

C17H11BrN4O2 — CID 42534798

IUPAC4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol
SMILESOc1ccc(Oc2ccc3nnc(-c4ccc(Br)cc4)n3n2)cc1
InChIInChI=1S/C17H11BrN4O2/c18-12-3-1-11(2-4-12)17-20-19-15-9-10-16(21-22(15)17)24-14-7-5-13(23)6-8-14/h1-10,23H
InChIKeyGIEFUDIZCPIRPD-UHFFFAOYSA-N
MW383.21 g/mol
LogP4.05
Rot. Bonds3

About 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol

4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol (PubChem CID 42534798) has the molecular formula C17H11BrN4O2 and a molecular weight of 383.21 g/mol. Its IUPAC name is 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol.

Molecular Properties

Compound Name4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol
PubChem CID42534798
Molecular FormulaC17H11BrN4O2
Molecular Weight383.21 g/mol
Exact Mass382.01
IUPAC Name4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol
SMILESOc1ccc(Oc2ccc3nnc(-c4ccc(Br)cc4)n3n2)cc1
InChIInChI=1S/C17H11BrN4O2/c18-12-3-1-11(2-4-12)17-20-19-15-9-10-16(21-22(15)17)24-14-7-5-13(23)6-8-14/h1-10,23H
InChIKeyGIEFUDIZCPIRPD-UHFFFAOYSA-N
XLogP4.05
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol?
The IUPAC name of 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol (CID 42534798) is 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol.
What is the SMILES notation for 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol?
The canonical SMILES for 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol is Oc1ccc(Oc2ccc3nnc(-c4ccc(Br)cc4)n3n2)cc1.
What is the InChIKey of 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol?
The InChIKey is GIEFUDIZCPIRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O2/c18-12-3-1-11(2-4-12)17-20-19-15-9-10-16(21-22(15)17)24-14-7-5-13(23)6-8-14/h1-10,23H.
What are the key properties of 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol?
4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol has a molecular weight of 383.21 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol is sourced from PubChem (CID 42534798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).