3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione

C12H13N3OS — CID 114055040

IUPAC3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCOc1cccnc1-c1nc(C)c(C)[nH]c1=S
InChIInChI=1S/C12H13N3OS/c1-7-8(2)15-12(17)11(14-7)10-9(16-3)5-4-6-13-10/h4-6H,1-3H3,(H,15,17)
InChIKeyJWRCEKMTNVJPCO-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.83
Rot. Bonds2

About 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione

3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione (PubChem CID 114055040) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione
PubChem CID114055040
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCOc1cccnc1-c1nc(C)c(C)[nH]c1=S
InChIInChI=1S/C12H13N3OS/c1-7-8(2)15-12(17)11(14-7)10-9(16-3)5-4-6-13-10/h4-6H,1-3H3,(H,15,17)
InChIKeyJWRCEKMTNVJPCO-UHFFFAOYSA-N
XLogP2.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The IUPAC name of 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione (CID 114055040) is 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The canonical SMILES for 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione is COc1cccnc1-c1nc(C)c(C)[nH]c1=S.
What is the InChIKey of 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The InChIKey is JWRCEKMTNVJPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-8(2)15-12(17)11(14-7)10-9(16-3)5-4-6-13-10/h4-6H,1-3H3,(H,15,17).
What are the key properties of 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione?
3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione has a molecular weight of 247.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione is sourced from PubChem (CID 114055040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).