6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C21H20N4O4 — CID 53354666

IUPAC6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2ccc3nnc(-c4ccc(OC)c(OC)c4OC)n3n2)cc1
InChIInChI=1S/C21H20N4O4/c1-26-14-7-5-13(6-8-14)16-10-12-18-22-23-21(25(18)24-16)15-9-11-17(27-2)20(29-4)19(15)28-3/h5-12H,1-4H3
InChIKeyOIBRAJYFESLLMP-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.49
Rot. Bonds6

About 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53354666) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53354666
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2ccc3nnc(-c4ccc(OC)c(OC)c4OC)n3n2)cc1
InChIInChI=1S/C21H20N4O4/c1-26-14-7-5-13(6-8-14)16-10-12-18-22-23-21(25(18)24-16)15-9-11-17(27-2)20(29-4)19(15)28-3/h5-12H,1-4H3
InChIKeyOIBRAJYFESLLMP-UHFFFAOYSA-N
XLogP3.49
TPSA80.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 53354666) is 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2ccc3nnc(-c4ccc(OC)c(OC)c4OC)n3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OIBRAJYFESLLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-26-14-7-5-13(6-8-14)16-10-12-18-22-23-21(25(18)24-16)15-9-11-17(27-2)20(29-4)19(15)28-3/h5-12H,1-4H3.
What are the key properties of 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 392.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53354666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).