6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine

C21H27N3O — CID 10065679

IUPAC6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(CC(C)C)c3c2C)cc1
InChIInChI=1S/C21H27N3O/c1-7-25-18-10-8-17(9-11-18)24-15(5)20-14(4)22-23-19(12-13(2)3)21(20)16(24)6/h8-11,13H,7,12H2,1-6H3
InChIKeyVIOLNSMRNUAXCN-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.94
Rot. Bonds5

About 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine

6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine (PubChem CID 10065679) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine
PubChem CID10065679
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(CC(C)C)c3c2C)cc1
InChIInChI=1S/C21H27N3O/c1-7-25-18-10-8-17(9-11-18)24-15(5)20-14(4)22-23-19(12-13(2)3)21(20)16(24)6/h8-11,13H,7,12H2,1-6H3
InChIKeyVIOLNSMRNUAXCN-UHFFFAOYSA-N
XLogP4.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine (CID 10065679) is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(CC(C)C)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine?
The InChIKey is VIOLNSMRNUAXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-7-25-18-10-8-17(9-11-18)24-15(5)20-14(4)22-23-19(12-13(2)3)21(20)16(24)6/h8-11,13H,7,12H2,1-6H3.
What are the key properties of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine?
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(2-methylpropyl)pyrrolo[3,4-d]pyridazine has a molecular weight of 337.47 g/mol, XLogP of 4.94, 5 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-(2-methylpropyl)pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10065679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).