3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile

C12H9N3OS — CID 80510912

IUPAC3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile
SMILESCSc1ccccc1Oc1nnccc1C#N
InChIInChI=1S/C12H9N3OS/c1-17-11-5-3-2-4-10(11)16-12-9(8-13)6-7-14-15-12/h2-7H,1H3
InChIKeySGZXZUDYLUPQJP-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.86
Rot. Bonds3

About 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile

3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile (PubChem CID 80510912) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile
PubChem CID80510912
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile
SMILESCSc1ccccc1Oc1nnccc1C#N
InChIInChI=1S/C12H9N3OS/c1-17-11-5-3-2-4-10(11)16-12-9(8-13)6-7-14-15-12/h2-7H,1H3
InChIKeySGZXZUDYLUPQJP-UHFFFAOYSA-N
XLogP2.86
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenoxy)pyridazine-4-carbonitrile
CID 80510196
N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
CID 80510052
3-(2-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 63649826
3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510176
3-(3-hydroxy-2-methylphenoxy)pyridazine-4-carbonitrile
CID 80516417
3-(2-methoxyphenyl)sulfanylpyridazine-4-carbonitrile
CID 80514163
2-methyl-4-(2-methylsulfanylphenoxy)benzonitrile
CID 81282036
3-propan-2-yloxypyridazine-4-carbonitrile
CID 80510144
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 80510977
4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63649827
3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile
CID 80510004
3-(2,5-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510171

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile (CID 80510912) is 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile is CSc1ccccc1Oc1nnccc1C#N.
What is the InChIKey of 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile?
The InChIKey is SGZXZUDYLUPQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-17-11-5-3-2-4-10(11)16-12-9(8-13)6-7-14-15-12/h2-7H,1H3.
What are the key properties of 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile?
3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile has a molecular weight of 243.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).