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

C18H21N3O — CID 715493

IUPAC6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1
InChIInChI=1S/C18H21N3O/c1-6-22-16-9-7-15(8-10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3
InChIKeyPNNKFYQBFUGYEX-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.05
Rot. Bonds3

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

6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 715493) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID715493
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1
InChIInChI=1S/C18H21N3O/c1-6-22-16-9-7-15(8-10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3
InChIKeyPNNKFYQBFUGYEX-UHFFFAOYSA-N
XLogP4.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 715493) is 6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is PNNKFYQBFUGYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-6-22-16-9-7-15(8-10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3.
What are the key properties of 6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 295.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 715493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).