6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

C16H16BrN3 — CID 804479

IUPAC6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(-c3ccc(Br)cc3)c(C)c12
InChIInChI=1S/C16H16BrN3/c1-9-15-11(3)20(14-7-5-13(17)6-8-14)12(4)16(15)10(2)19-18-9/h5-8H,1-4H3
InChIKeyGMBUCLWZLPOFGJ-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.42
Rot. Bonds1

About 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 804479) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID804479
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(-c3ccc(Br)cc3)c(C)c12
InChIInChI=1S/C16H16BrN3/c1-9-15-11(3)20(14-7-5-13(17)6-8-14)12(4)16(15)10(2)19-18-9/h5-8H,1-4H3
InChIKeyGMBUCLWZLPOFGJ-UHFFFAOYSA-N
XLogP4.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 804479) is 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c(C)n(-c3ccc(Br)cc3)c(C)c12.
What is the InChIKey of 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is GMBUCLWZLPOFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-9-15-11(3)20(14-7-5-13(17)6-8-14)12(4)16(15)10(2)19-18-9/h5-8H,1-4H3.
What are the key properties of 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 330.23 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 804479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).