6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

C17H19N3O — CID 804403

IUPAC6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCOc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C
InChIInChI=1S/C17H19N3O/c1-10-16-12(3)20(13(4)17(16)11(2)19-18-10)14-8-6-7-9-15(14)21-5/h6-9H,1-5H3
InChIKeyVGSGTWHMPYWXHZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.66
Rot. Bonds2

About 6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 804403) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID804403
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCOc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C
InChIInChI=1S/C17H19N3O/c1-10-16-12(3)20(13(4)17(16)11(2)19-18-10)14-8-6-7-9-15(14)21-5/h6-9H,1-5H3
InChIKeyVGSGTWHMPYWXHZ-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 804403) is 6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is COc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C.
What is the InChIKey of 6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is VGSGTWHMPYWXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-16-12(3)20(13(4)17(16)11(2)19-18-10)14-8-6-7-9-15(14)21-5/h6-9H,1-5H3.
What are the key properties of 6-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-(2-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-(2-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 804403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).