4-methylsulfanylpyrrolo[1,2-b]pyridazine

C8H8N2S — CID 91132662

IUPAC4-methylsulfanylpyrrolo[1,2-b]pyridazine
SMILESCSc1ccnn2cccc12
InChIInChI=1S/C8H8N2S/c1-11-8-4-5-9-10-6-2-3-7(8)10/h2-6H,1H3
InChIKeyHZUKLMAPVZQQCW-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.06
Rot. Bonds1

About 4-methylsulfanylpyrrolo[1,2-b]pyridazine

4-methylsulfanylpyrrolo[1,2-b]pyridazine (PubChem CID 91132662) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-methylsulfanylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name4-methylsulfanylpyrrolo[1,2-b]pyridazine
PubChem CID91132662
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name4-methylsulfanylpyrrolo[1,2-b]pyridazine
SMILESCSc1ccnn2cccc12
InChIInChI=1S/C8H8N2S/c1-11-8-4-5-9-10-6-2-3-7(8)10/h2-6H,1H3
InChIKeyHZUKLMAPVZQQCW-UHFFFAOYSA-N
XLogP2.06
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromopyrazolo[1,5-a]pyridine;ethane
CID 156651624
N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine
CID 89309682
2-pyrazolo[1,5-a]pyridin-4-ylpropanoic acid
CID 83877395
1-pyrazolo[1,5-a]pyridin-4-ylpropan-2-one
CID 83827376
4-bromo-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
CID 130114979
6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
CID 58517811
ethane;3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 91440821
pyrazolo[1,5-a]pyridine-4,5-diamine
CID 121417759
ethane;3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155742340
4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 160987444
4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 59811854
4-iodopyrrolo[2,1-f][1,2,4]triazine
CID 143866204

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 4-methylsulfanylpyrrolo[1,2-b]pyridazine (CID 91132662) is 4-methylsulfanylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 4-methylsulfanylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 4-methylsulfanylpyrrolo[1,2-b]pyridazine is CSc1ccnn2cccc12.
What is the InChIKey of 4-methylsulfanylpyrrolo[1,2-b]pyridazine?
The InChIKey is HZUKLMAPVZQQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-11-8-4-5-9-10-6-2-3-7(8)10/h2-6H,1H3.
What are the key properties of 4-methylsulfanylpyrrolo[1,2-b]pyridazine?
4-methylsulfanylpyrrolo[1,2-b]pyridazine has a molecular weight of 164.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 91132662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).