2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine

C14H6F2N4S2 — CID 162717711

IUPAC2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine
SMILESFc1nc2c(-c3cccs3)nnc(-c3cccs3)c2nc1F
InChIInChI=1S/C14H6F2N4S2/c15-13-14(16)18-12-10(8-4-2-6-22-8)20-19-9(11(12)17-13)7-3-1-5-21-7/h1-6H
InChIKeyAOKAZGILIMOBGL-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.16
Rot. Bonds2

About 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine

2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine (PubChem CID 162717711) has the molecular formula C14H6F2N4S2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine.

Molecular Properties

Compound Name2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine
PubChem CID162717711
Molecular FormulaC14H6F2N4S2
Molecular Weight332.36 g/mol
Exact Mass332.00
IUPAC Name2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine
SMILESFc1nc2c(-c3cccs3)nnc(-c3cccs3)c2nc1F
InChIInChI=1S/C14H6F2N4S2/c15-13-14(16)18-12-10(8-4-2-6-22-8)20-19-9(11(12)17-13)7-3-1-5-21-7/h1-6H
InChIKeyAOKAZGILIMOBGL-UHFFFAOYSA-N
XLogP4.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine?
The IUPAC name of 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine (CID 162717711) is 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine.
What is the SMILES notation for 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine?
The canonical SMILES for 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine is Fc1nc2c(-c3cccs3)nnc(-c3cccs3)c2nc1F.
What is the InChIKey of 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine?
The InChIKey is AOKAZGILIMOBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F2N4S2/c15-13-14(16)18-12-10(8-4-2-6-22-8)20-19-9(11(12)17-13)7-3-1-5-21-7/h1-6H.
What are the key properties of 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine?
2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine has a molecular weight of 332.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine is sourced from PubChem (CID 162717711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).