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

C24H26N4O2 — CID 10069697

IUPAC6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)cc4)c3c2C)cc1
InChIInChI=1S/C24H26N4O2/c1-6-30-21-13-9-19(10-14-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-11-20(29-5)12-8-18/h7-14H,6H2,1-5H3,(H,25,27)
InChIKeyXVYIFYZSDLFMOP-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.50
Rot. Bonds6

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

6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 10069697) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID10069697
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)cc4)c3c2C)cc1
InChIInChI=1S/C24H26N4O2/c1-6-30-21-13-9-19(10-14-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-11-20(29-5)12-8-18/h7-14H,6H2,1-5H3,(H,25,27)
InChIKeyXVYIFYZSDLFMOP-UHFFFAOYSA-N
XLogP5.50
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 10069697) is 6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)cc4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is XVYIFYZSDLFMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-6-30-21-13-9-19(10-14-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-11-20(29-5)12-8-18/h7-14H,6H2,1-5H3,(H,25,27).
What are the key properties of 6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 402.50 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 10069697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).