1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine

C16H17N3 — CID 4874234

IUPAC1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(-c3ccccc3)c(C)c12
InChIInChI=1S/C16H17N3/c1-10-15-12(3)19(14-8-6-5-7-9-14)13(4)16(15)11(2)18-17-10/h5-9H,1-4H3
InChIKeyRHLJIDRQGFKRDC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.65
Rot. Bonds1

About 1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine

1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine (PubChem CID 4874234) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine
PubChem CID4874234
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(-c3ccccc3)c(C)c12
InChIInChI=1S/C16H17N3/c1-10-15-12(3)19(14-8-6-5-7-9-14)13(4)16(15)11(2)18-17-10/h5-9H,1-4H3
InChIKeyRHLJIDRQGFKRDC-UHFFFAOYSA-N
XLogP3.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4,5,7-tetramethyl-6-phenylpyrrolo[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 1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine (CID 4874234) is 1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c(C)n(-c3ccccc3)c(C)c12.
What is the InChIKey of 1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine?
The InChIKey is RHLJIDRQGFKRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-15-12(3)19(14-8-6-5-7-9-14)13(4)16(15)11(2)18-17-10/h5-9H,1-4H3.
What are the key properties of 1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine?
1,4,5,7-tetramethyl-6-phenylpyrrolo[3,4-d]pyridazine has a molecular weight of 251.33 g/mol, XLogP of 3.65, 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-phenylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 4874234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).