6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine

C19H23N3O — CID 10357989

IUPAC6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(CC)c3c2C)cc1
InChIInChI=1S/C19H23N3O/c1-6-17-19-14(5)22(13(4)18(19)12(3)20-21-17)15-8-10-16(11-9-15)23-7-2/h8-11H,6-7H2,1-5H3
InChIKeyRVCZWQKHDBMHAV-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.31
Rot. Bonds4

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

6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (PubChem CID 10357989) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
PubChem CID10357989
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(CC)c3c2C)cc1
InChIInChI=1S/C19H23N3O/c1-6-17-19-14(5)22(13(4)18(19)12(3)20-21-17)15-8-10-16(11-9-15)23-7-2/h8-11H,6-7H2,1-5H3
InChIKeyRVCZWQKHDBMHAV-UHFFFAOYSA-N
XLogP4.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (CID 10357989) is 6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(CC)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The InChIKey is RVCZWQKHDBMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-6-17-19-14(5)22(13(4)18(19)12(3)20-21-17)15-8-10-16(11-9-15)23-7-2/h8-11H,6-7H2,1-5H3.
What are the key properties of 6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine has a molecular weight of 309.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-4-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10357989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).