6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

C17H19N3 — CID 659734

IUPAC6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(Cc3ccccc3)c(C)c12
InChIInChI=1S/C17H19N3/c1-11-16-13(3)20(10-15-8-6-5-7-9-15)14(4)17(16)12(2)19-18-11/h5-9H,10H2,1-4H3
InChIKeyKZLKQWYHODCVGA-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.71
Rot. Bonds2

About 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 659734) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID659734
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(Cc3ccccc3)c(C)c12
InChIInChI=1S/C17H19N3/c1-11-16-13(3)20(10-15-8-6-5-7-9-15)14(4)17(16)12(2)19-18-11/h5-9H,10H2,1-4H3
InChIKeyKZLKQWYHODCVGA-UHFFFAOYSA-N
XLogP3.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 659734) is 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c(C)n(Cc3ccccc3)c(C)c12.
What is the InChIKey of 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is KZLKQWYHODCVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11-16-13(3)20(10-15-8-6-5-7-9-15)14(4)17(16)12(2)19-18-11/h5-9H,10H2,1-4H3.
What are the key properties of 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 265.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 659734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).