6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine

C23H24N4O — CID 10429369

IUPAC6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccccc4)c3c2C)cc1
InChIInChI=1S/C23H24N4O/c1-5-28-20-13-11-19(12-14-20)27-16(3)21-15(2)25-26-23(22(21)17(27)4)24-18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,24,26)
InChIKeyIIXUZNNUQDOARN-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.49
Rot. Bonds5

About 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 10429369) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID10429369
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccccc4)c3c2C)cc1
InChIInChI=1S/C23H24N4O/c1-5-28-20-13-11-19(12-14-20)27-16(3)21-15(2)25-26-23(22(21)17(27)4)24-18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,24,26)
InChIKeyIIXUZNNUQDOARN-UHFFFAOYSA-N
XLogP5.49
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine (CID 10429369) is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccccc4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is IIXUZNNUQDOARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-5-28-20-13-11-19(12-14-20)27-16(3)21-15(2)25-26-23(22(21)17(27)4)24-18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,24,26).
What are the key properties of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 372.47 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 10429369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).