3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione

C10H9N3OS — CID 106516084

IUPAC3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione
SMILESCOc1ccc(-c2ncc[nH]c2=S)cn1
InChIInChI=1S/C10H9N3OS/c1-14-8-3-2-7(6-13-8)9-10(15)12-5-4-11-9/h2-6H,1H3,(H,12,15)
InChIKeyURICNUJFIXVWCE-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.21
Rot. Bonds2

About 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione

3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione (PubChem CID 106516084) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione
PubChem CID106516084
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione
SMILESCOc1ccc(-c2ncc[nH]c2=S)cn1
InChIInChI=1S/C10H9N3OS/c1-14-8-3-2-7(6-13-8)9-10(15)12-5-4-11-9/h2-6H,1H3,(H,12,15)
InChIKeyURICNUJFIXVWCE-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione
CID 106516047
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazine-2-thione
CID 106521271
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637
3-(2-methylquinolin-6-yl)-1H-pyrazine-2-thione
CID 106519588
5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine
CID 134854260
3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione
CID 106521522
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline
CID 141410973
2-(6-methoxy-3-pyridinyl)-N,N-dimethylpyridine-3-carboxamide
CID 122569110
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione (CID 106516084) is 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione is COc1ccc(-c2ncc[nH]c2=S)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione?
The InChIKey is URICNUJFIXVWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-14-8-3-2-7(6-13-8)9-10(15)12-5-4-11-9/h2-6H,1H3,(H,12,15).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione?
3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione has a molecular weight of 219.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106516084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).