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

C22H29N3O — CID 10089311

IUPAC6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine
SMILESCCCCCc1nnc(C)c2c(C)n(-c3ccc(OCC)cc3)c(C)c12
InChIInChI=1S/C22H29N3O/c1-6-8-9-10-20-22-17(5)25(16(4)21(22)15(3)23-24-20)18-11-13-19(14-12-18)26-7-2/h11-14H,6-10H2,1-5H3
InChIKeyYEHRCHDUUNSBJA-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.48
Rot. Bonds7

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

6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine (PubChem CID 10089311) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine
PubChem CID10089311
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine
SMILESCCCCCc1nnc(C)c2c(C)n(-c3ccc(OCC)cc3)c(C)c12
InChIInChI=1S/C22H29N3O/c1-6-8-9-10-20-22-17(5)25(16(4)21(22)15(3)23-24-20)18-11-13-19(14-12-18)26-7-2/h11-14H,6-10H2,1-5H3
InChIKeyYEHRCHDUUNSBJA-UHFFFAOYSA-N
XLogP5.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine (CID 10089311) is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine is CCCCCc1nnc(C)c2c(C)n(-c3ccc(OCC)cc3)c(C)c12.
What is the InChIKey of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine?
The InChIKey is YEHRCHDUUNSBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-6-8-9-10-20-22-17(5)25(16(4)21(22)15(3)23-24-20)18-11-13-19(14-12-18)26-7-2/h11-14H,6-10H2,1-5H3.
What are the key properties of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine?
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine has a molecular weight of 351.49 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10089311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).