4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine

C15H13BrN2O2S — CID 142487469

IUPAC4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine
SMILESCOCCOc1ccccc1-c1nnc(Br)c2cscc12
InChIInChI=1S/C15H13BrN2O2S/c1-19-6-7-20-13-5-3-2-4-10(13)14-11-8-21-9-12(11)15(16)18-17-14/h2-5,8-9H,6-7H2,1H3
InChIKeyVWPJSXIZCHIUBG-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.15
Rot. Bonds5

About 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine

4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine (PubChem CID 142487469) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine.

Molecular Properties

Compound Name4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine
PubChem CID142487469
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine
SMILESCOCCOc1ccccc1-c1nnc(Br)c2cscc12
InChIInChI=1S/C15H13BrN2O2S/c1-19-6-7-20-13-5-3-2-4-10(13)14-11-8-21-9-12(11)15(16)18-17-14/h2-5,8-9H,6-7H2,1H3
InChIKeyVWPJSXIZCHIUBG-UHFFFAOYSA-N
XLogP4.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-Chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
CID 142487485
2-[2-[5-Fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine
CID 176701506
4-Chloro-7-(2-(2-methoxyethoxy)phenyl)thieno[2,3-d]pyridazine
CID 142487449
4-Chloro-7-[2-(1,4-dioxan-2-ylmethoxy)phenyl]thieno[2,3-d]pyridazine
CID 142487498
4-Chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine
CID 142487509
4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine
CID 142487547
2-(4-Bromothieno[3,4-d]pyridazin-1-yl)phenol
CID 142487607
7,16-Dioxa-25-thia-29,30-diazapentacyclo[21.5.2.12,6.017,22.024,28]hentriaconta-1(29),2(31),3,5,17,19,21,23(30),24(28),26-decaene
CID 176700259
3-[7-[2-(2-Methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol
CID 176700302
3-Methoxy-4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]benzonitrile
CID 176700693
7-[2-(2-Methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine
CID 176700835
1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine
CID 176700888

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine?
The IUPAC name of 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine (CID 142487469) is 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine.
What is the SMILES notation for 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine?
The canonical SMILES for 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine is COCCOc1ccccc1-c1nnc(Br)c2cscc12.
What is the InChIKey of 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine?
The InChIKey is VWPJSXIZCHIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-19-6-7-20-13-5-3-2-4-10(13)14-11-8-21-9-12(11)15(16)18-17-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine?
4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine has a molecular weight of 365.25 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine is sourced from PubChem (CID 142487469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).