6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione

C10H9N3S — CID 106518852

IUPAC6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione
SMILESCc1cnccc1-c1cncc(=S)[nH]1
InChIInChI=1S/C10H9N3S/c1-7-4-11-3-2-8(7)9-5-12-6-10(14)13-9/h2-6H,1H3,(H,13,14)
InChIKeyVCQCEBHCSHGZID-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.51
Rot. Bonds1

About 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione

6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione (PubChem CID 106518852) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione
PubChem CID106518852
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione
SMILESCc1cnccc1-c1cncc(=S)[nH]1
InChIInChI=1S/C10H9N3S/c1-7-4-11-3-2-8(7)9-5-12-6-10(14)13-9/h2-6H,1H3,(H,13,14)
InChIKeyVCQCEBHCSHGZID-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione?
The IUPAC name of 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione (CID 106518852) is 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione?
The canonical SMILES for 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione is Cc1cnccc1-c1cncc(=S)[nH]1.
What is the InChIKey of 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione?
The InChIKey is VCQCEBHCSHGZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-7-4-11-3-2-8(7)9-5-12-6-10(14)13-9/h2-6H,1H3,(H,13,14).
What are the key properties of 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione?
6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione has a molecular weight of 203.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106518852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).