6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

C20H25N3O2 — CID 944065

IUPAC6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCOc1ccc(CCn2c(C)c3c(C)nnc(C)c3c2C)cc1OC
InChIInChI=1S/C20H25N3O2/c1-12-19-14(3)23(15(4)20(19)13(2)22-21-12)10-9-16-7-8-17(24-5)18(11-16)25-6/h7-8,11H,9-10H2,1-6H3
InChIKeyUXSNXETUEBTVSE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.92
Rot. Bonds5

About 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 944065) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID944065
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCOc1ccc(CCn2c(C)c3c(C)nnc(C)c3c2C)cc1OC
InChIInChI=1S/C20H25N3O2/c1-12-19-14(3)23(15(4)20(19)13(2)22-21-12)10-9-16-7-8-17(24-5)18(11-16)25-6/h7-8,11H,9-10H2,1-6H3
InChIKeyUXSNXETUEBTVSE-UHFFFAOYSA-N
XLogP3.92
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)ethyl]-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
CID 2984616
11-(3,4-dichlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-3,5,7-trimethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
CID 5131403
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3723849
3-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
CID 64571510
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-bis(trimethylsilyloxy)pyrrolidine-2,5-dione
CID 11236001
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106555784
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 19603658
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54680056

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 944065) is 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is COc1ccc(CCn2c(C)c3c(C)nnc(C)c3c2C)cc1OC.
What is the InChIKey of 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is UXSNXETUEBTVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-19-14(3)23(15(4)20(19)13(2)22-21-12)10-9-16-7-8-17(24-5)18(11-16)25-6/h7-8,11H,9-10H2,1-6H3.
What are the key properties of 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 339.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 944065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).