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

C19H24N4O — CID 10448940

IUPAC6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(N(C)C)c3c2C)cc1
InChIInChI=1S/C19H24N4O/c1-7-24-16-10-8-15(9-11-16)23-13(3)17-12(2)20-21-19(22(5)6)18(17)14(23)4/h8-11H,7H2,1-6H3
InChIKeyLJBBDRGVLUPWEP-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.81
Rot. Bonds4

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

6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 10448940) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID10448940
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(N(C)C)c3c2C)cc1
InChIInChI=1S/C19H24N4O/c1-7-24-16-10-8-15(9-11-16)23-13(3)17-12(2)20-21-19(22(5)6)18(17)14(23)4/h8-11H,7H2,1-6H3
InChIKeyLJBBDRGVLUPWEP-UHFFFAOYSA-N
XLogP3.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(Azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 56676649
6-(4-ethoxyphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 715493
6-(4-Ethoxy-phenyl)-1-(4-ethyl-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 9977389
1-Cyclopropyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 9996195
6-(4-Ethoxy-phenyl)-1-(2-methoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10000286
6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-p-tolyl-6H-pyrrolo[3,4-d]pyridazine
CID 10022126
1,6-Bis-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10046621
6-(4-Ethoxy-phenyl)-1-isobutyl-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10065679
6-(4-Ethoxy-phenyl)-1-(4-fluoro-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10068070
[6-(4-Ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-yl]-(4-methoxy-phenyl)-amine
CID 10069697
1-Cyclopentyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10089184
6-(4-Ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-D]pyridazine
CID 10089311

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine (CID 10448940) is 6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N(C)C)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is LJBBDRGVLUPWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-7-24-16-10-8-15(9-11-16)23-13(3)17-12(2)20-21-19(22(5)6)18(17)14(23)4/h8-11H,7H2,1-6H3.
What are the key properties of 6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N,N,1,5,7-pentamethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 10448940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).