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

C23H23N3 — CID 2979096

IUPAC6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(C(c3ccccc3)c3ccccc3)c(C)c12
InChIInChI=1S/C23H23N3/c1-15-21-17(3)26(18(4)22(21)16(2)25-24-15)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,23H,1-4H3
InChIKeyJLRLFPYOMOPNEF-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.30
Rot. Bonds3

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

6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 2979096) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID2979096
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(C(c3ccccc3)c3ccccc3)c(C)c12
InChIInChI=1S/C23H23N3/c1-15-21-17(3)26(18(4)22(21)16(2)25-24-15)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,23H,1-4H3
InChIKeyJLRLFPYOMOPNEF-UHFFFAOYSA-N
XLogP5.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 2979096) is 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c(C)n(C(c3ccccc3)c3ccccc3)c(C)c12.
What is the InChIKey of 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is JLRLFPYOMOPNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-15-21-17(3)26(18(4)22(21)16(2)25-24-15)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,23H,1-4H3.
What are the key properties of 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 341.46 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 2979096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).