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

C24H26N4O — CID 10249570

IUPAC6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)cc4)c3c2C)cc1
InChIInChI=1S/C24H26N4O/c1-6-29-21-13-11-20(12-14-21)28-17(4)22-16(3)26-27-24(23(22)18(28)5)25-19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3,(H,25,27)
InChIKeyJKTQWOIHXZTAKK-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.80
Rot. Bonds5

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

6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 10249570) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine
PubChem CID10249570
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)cc4)c3c2C)cc1
InChIInChI=1S/C24H26N4O/c1-6-29-21-13-11-20(12-14-21)28-17(4)22-16(3)26-27-24(23(22)18(28)5)25-19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3,(H,25,27)
InChIKeyJKTQWOIHXZTAKK-UHFFFAOYSA-N
XLogP5.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.80
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-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 10249570) is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)cc4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is JKTQWOIHXZTAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-6-29-21-13-11-20(12-14-21)28-17(4)22-16(3)26-27-24(23(22)18(28)5)25-19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3,(H,25,27).
What are the key properties of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 386.50 g/mol, XLogP of 5.80, 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-(4-methylphenyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 10249570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).