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

C21H27N3O — CID 142851946

IUPAC6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCCCc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(OCC)c1
InChIInChI=1S/C21H27N3O/c1-7-9-17-10-11-18(19(12-17)25-8-2)24-15(5)20-13(3)22-23-14(4)21(20)16(24)6/h10-12H,7-9H2,1-6H3
InChIKeyZCEFPDKGLOOAFW-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.01
Rot. Bonds5

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

6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 142851946) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID142851946
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCCCc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(OCC)c1
InChIInChI=1S/C21H27N3O/c1-7-9-17-10-11-18(19(12-17)25-8-2)24-15(5)20-13(3)22-23-14(4)21(20)16(24)6/h10-12H,7-9H2,1-6H3
InChIKeyZCEFPDKGLOOAFW-UHFFFAOYSA-N
XLogP5.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 142851946) is 6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is CCCc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(OCC)c1.
What is the InChIKey of 6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is ZCEFPDKGLOOAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-7-9-17-10-11-18(19(12-17)25-8-2)24-15(5)20-13(3)22-23-14(4)21(20)16(24)6/h10-12H,7-9H2,1-6H3.
What are the key properties of 6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 337.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-4-propylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 142851946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).