6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C20H17ClN4O3 — CID 134142066

IUPAC6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(-c2nnc3ccc(-c4ccc(Cl)cc4)nn23)cc(OC)c1OC
InChIInChI=1S/C20H17ClN4O3/c1-26-16-10-13(11-17(27-2)19(16)28-3)20-23-22-18-9-8-15(24-25(18)20)12-4-6-14(21)7-5-12/h4-11H,1-3H3
InChIKeyVBCZJOJIQPEFHO-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.14
Rot. Bonds5

About 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134142066) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134142066
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(-c2nnc3ccc(-c4ccc(Cl)cc4)nn23)cc(OC)c1OC
InChIInChI=1S/C20H17ClN4O3/c1-26-16-10-13(11-17(27-2)19(16)28-3)20-23-22-18-9-8-15(24-25(18)20)12-4-6-14(21)7-5-12/h4-11H,1-3H3
InChIKeyVBCZJOJIQPEFHO-UHFFFAOYSA-N
XLogP4.14
TPSA70.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134142066) is 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1cc(-c2nnc3ccc(-c4ccc(Cl)cc4)nn23)cc(OC)c1OC.
What is the InChIKey of 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VBCZJOJIQPEFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-26-16-10-13(11-17(27-2)19(16)28-3)20-23-22-18-9-8-15(24-25(18)20)12-4-6-14(21)7-5-12/h4-11H,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 396.83 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134142066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).