1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine

C17H19N3 — CID 921199

IUPAC1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
SMILESCc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1
InChIInChI=1S/C17H19N3/c1-10-6-8-15(9-7-10)20-13(4)16-11(2)18-19-12(3)17(16)14(20)5/h6-9H,1-5H3
InChIKeyGWFSQOJRMUIOBX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.96
Rot. Bonds1

About 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine

1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine (PubChem CID 921199) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
PubChem CID921199
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
SMILESCc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1
InChIInChI=1S/C17H19N3/c1-10-6-8-15(9-7-10)20-13(4)16-11(2)18-19-12(3)17(16)14(20)5/h6-9H,1-5H3
InChIKeyGWFSQOJRMUIOBX-UHFFFAOYSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine (CID 921199) is 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine is Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1.
What is the InChIKey of 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
The InChIKey is GWFSQOJRMUIOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-10-6-8-15(9-7-10)20-13(4)16-11(2)18-19-12(3)17(16)14(20)5/h6-9H,1-5H3.
What are the key properties of 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine has a molecular weight of 265.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7-tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 921199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).