6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine

C18H20Br2N4O — CID 10457314

IUPAC6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1c(Br)cc(-n2c(C)c3c(C)nnc(NC)c3c2C)cc1Br
InChIInChI=1S/C18H20Br2N4O/c1-6-25-17-13(19)7-12(8-14(17)20)24-10(3)15-9(2)22-23-18(21-5)16(15)11(24)4/h7-8H,6H2,1-5H3,(H,21,23)
InChIKeyIBCGQQMHMZKZKF-UHFFFAOYSA-N
MW468.19 g/mol
LogP5.31
Rot. Bonds4

About 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine

6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 10457314) has the molecular formula C18H20Br2N4O and a molecular weight of 468.19 g/mol. Its IUPAC name is 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID10457314
Molecular FormulaC18H20Br2N4O
Molecular Weight468.19 g/mol
Exact Mass466.00
IUPAC Name6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1c(Br)cc(-n2c(C)c3c(C)nnc(NC)c3c2C)cc1Br
InChIInChI=1S/C18H20Br2N4O/c1-6-25-17-13(19)7-12(8-14(17)20)24-10(3)15-9(2)22-23-18(21-5)16(15)11(24)4/h7-8H,6H2,1-5H3,(H,21,23)
InChIKeyIBCGQQMHMZKZKF-UHFFFAOYSA-N
XLogP5.31
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.19
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine 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-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine (CID 10457314) is 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1c(Br)cc(-n2c(C)c3c(C)nnc(NC)c3c2C)cc1Br.
What is the InChIKey of 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is IBCGQQMHMZKZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2N4O/c1-6-25-17-13(19)7-12(8-14(17)20)24-10(3)15-9(2)22-23-18(21-5)16(15)11(24)4/h7-8H,6H2,1-5H3,(H,21,23).
What are the key properties of 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine?
6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 468.19 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dibromo-4-ethoxyphenyl)-N,1,5,7-tetramethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 10457314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).