3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile

C8H9N3OS — CID 163771257

IUPAC3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile
SMILESCCSc1nncc(OC)c1C#N
InChIInChI=1S/C8H9N3OS/c1-3-13-8-6(4-9)7(12-2)5-10-11-8/h5H,3H2,1-2H3
InChIKeyMGQHGXDAKDBAGX-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.47
Rot. Bonds3

About 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile

3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile (PubChem CID 163771257) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile
PubChem CID163771257
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile
SMILESCCSc1nncc(OC)c1C#N
InChIInChI=1S/C8H9N3OS/c1-3-13-8-6(4-9)7(12-2)5-10-11-8/h5H,3H2,1-2H3
InChIKeyMGQHGXDAKDBAGX-UHFFFAOYSA-N
XLogP1.47
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-bis(ethylsulfanyl)-5,8-dimethoxyquinoxaline
CID 15350040
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
3-bromo-5-methoxypyridine-4-carbonitrile
CID 119091286
2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
CID 739743
3-ethylsulfanyl-5-methylsulfanyl-1,2-thiazole-4-carbonitrile
CID 612206
5-bromo-2,3-dimethoxy-6-methylbenzonitrile
CID 117393170
3-chloro-6-ethylsulfanyl-4-methoxypyridazine
CID 170557114
2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile
CID 4083056
3-(2-methoxyphenyl)sulfanylpyridazine-4-carbonitrile
CID 80514163
2-ethylsulfanyl-5-methoxypyridine
CID 134311187
4-chloro-2,6-dimethoxybenzonitrile
CID 71485579
2-ethylsulfanyl-1,3-dimethoxybenzene
CID 12913383

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile?
The IUPAC name of 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile (CID 163771257) is 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile.
What is the SMILES notation for 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile?
The canonical SMILES for 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile is CCSc1nncc(OC)c1C#N.
What is the InChIKey of 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile?
The InChIKey is MGQHGXDAKDBAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-3-13-8-6(4-9)7(12-2)5-10-11-8/h5H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile?
3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile has a molecular weight of 195.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-methoxypyridazine-4-carbonitrile is sourced from PubChem (CID 163771257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).