1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine

C14H10FN3S — CID 156805418

IUPAC1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine
SMILESC=C(N)c1nncc2cc(-c3cccc(F)c3)sc12
InChIInChI=1S/C14H10FN3S/c1-8(16)13-14-10(7-17-18-13)6-12(19-14)9-3-2-4-11(15)5-9/h2-7H,1,16H2
InChIKeyIDEKAILWWOQJIR-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.43
Rot. Bonds2

About 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine

1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine (PubChem CID 156805418) has the molecular formula C14H10FN3S and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine
PubChem CID156805418
Molecular FormulaC14H10FN3S
Molecular Weight271.32 g/mol
Exact Mass271.06
IUPAC Name1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine
SMILESC=C(N)c1nncc2cc(-c3cccc(F)c3)sc12
InChIInChI=1S/C14H10FN3S/c1-8(16)13-14-10(7-17-18-13)6-12(19-14)9-3-2-4-11(15)5-9/h2-7H,1,16H2
InChIKeyIDEKAILWWOQJIR-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine?
The IUPAC name of 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine (CID 156805418) is 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine?
The canonical SMILES for 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine is C=C(N)c1nncc2cc(-c3cccc(F)c3)sc12.
What is the InChIKey of 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine?
The InChIKey is IDEKAILWWOQJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3S/c1-8(16)13-14-10(7-17-18-13)6-12(19-14)9-3-2-4-11(15)5-9/h2-7H,1,16H2.
What are the key properties of 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine?
1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine has a molecular weight of 271.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)thieno[2,3-d]pyridazin-7-yl]ethenamine is sourced from PubChem (CID 156805418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).