6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

C17H19N3O — CID 715491

IUPAC6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1
InChIInChI=1S/C17H19N3O/c1-10-16-12(3)20(13(4)17(16)11(2)19-18-10)14-6-8-15(21-5)9-7-14/h6-9H,1-5H3
InChIKeyADXDGQYAKPLVKS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.66
Rot. Bonds2

About 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 715491) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID715491
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1
InChIInChI=1S/C17H19N3O/c1-10-16-12(3)20(13(4)17(16)11(2)19-18-10)14-6-8-15(21-5)9-7-14/h6-9H,1-5H3
InChIKeyADXDGQYAKPLVKS-UHFFFAOYSA-N
XLogP3.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 715491) is 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is COc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is ADXDGQYAKPLVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-16-12(3)20(13(4)17(16)11(2)19-18-10)14-6-8-15(21-5)9-7-14/h6-9H,1-5H3.
What are the key properties of 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 281.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 715491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).