8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine

C15H16N4OS — CID 22024608

IUPAC8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(-c2ccnn3c(N)c(SC)nc23)c(C)c1
InChIInChI=1S/C15H16N4OS/c1-9-8-10(20-2)4-5-11(9)12-6-7-17-19-13(16)15(21-3)18-14(12)19/h4-8H,16H2,1-3H3
InChIKeyQLTSFYYOAPHGFN-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.02
Rot. Bonds3

About 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine

8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine (PubChem CID 22024608) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound Name8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine
PubChem CID22024608
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(-c2ccnn3c(N)c(SC)nc23)c(C)c1
InChIInChI=1S/C15H16N4OS/c1-9-8-10(20-2)4-5-11(9)12-6-7-17-19-13(16)15(21-3)18-14(12)19/h4-8H,16H2,1-3H3
InChIKeyQLTSFYYOAPHGFN-UHFFFAOYSA-N
XLogP3.02
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine
CID 10271375
2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 116795272
3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine
CID 65318561
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
6-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 124908703
7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 134543465
5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 22248987
5-(4-methoxy-2-methylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 118448817
5-methoxy-2-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135949504
5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 144571789
5-(6-methoxynaphthalen-2-yl)-2,3-dimethylimidazol-4-amine
CID 62226138
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine (CID 22024608) is 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine is COc1ccc(-c2ccnn3c(N)c(SC)nc23)c(C)c1.
What is the InChIKey of 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine?
The InChIKey is QLTSFYYOAPHGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-8-10(20-2)4-5-11(9)12-6-7-17-19-13(16)15(21-3)18-14(12)19/h4-8H,16H2,1-3H3.
What are the key properties of 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine?
8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine has a molecular weight of 300.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-2-methylphenyl)-2-methylsulfanylimidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 22024608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).