3-pyridin-3-yl-1H-pyrazine-2-thione

C9H7N3S — CID 106513816

IUPAC3-pyridin-3-yl-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1-c1cccnc1
InChIInChI=1S/C9H7N3S/c13-9-8(11-4-5-12-9)7-2-1-3-10-6-7/h1-6H,(H,12,13)
InChIKeyVRNXBJWTIXOLDW-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.20
Rot. Bonds1

About 3-pyridin-3-yl-1H-pyrazine-2-thione

3-pyridin-3-yl-1H-pyrazine-2-thione (PubChem CID 106513816) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-pyridin-3-yl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-pyridin-3-yl-1H-pyrazine-2-thione
PubChem CID106513816
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC Name3-pyridin-3-yl-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1-c1cccnc1
InChIInChI=1S/C9H7N3S/c13-9-8(11-4-5-12-9)7-2-1-3-10-6-7/h1-6H,(H,12,13)
InChIKeyVRNXBJWTIXOLDW-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-pyridin-3-yl-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

Related Compounds

3-(3-ethoxyphenyl)-1H-pyrazine-2-thione
CID 106519902
2,3-dipyridin-3-ylpyridine;hydrobromide
CID 175062851
2,3-dipyridin-3-ylpyridine;methane
CID 174971096
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride
CID 175008055
calcium;2,3-dipyridin-3-ylpyridine;hydride
CID 174847287
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride;hexahydrate
CID 175003948
2,3-dipyridin-3-ylpyridine;platinum(2+);dibromide
CID 175132894
2-pyridin-3-ylpyridine-3,4-diamine
CID 118914760
3-(5-ethyl-1H-imidazol-4-yl)pyridine
CID 45120975
(2-pyridin-3-yl-3-pyridinyl)methanamine
CID 19005903
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1H-pyrazine-2-thione?
The IUPAC name of 3-pyridin-3-yl-1H-pyrazine-2-thione (CID 106513816) is 3-pyridin-3-yl-1H-pyrazine-2-thione.
What is the SMILES notation for 3-pyridin-3-yl-1H-pyrazine-2-thione?
The canonical SMILES for 3-pyridin-3-yl-1H-pyrazine-2-thione is S=c1[nH]ccnc1-c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-1H-pyrazine-2-thione?
The InChIKey is VRNXBJWTIXOLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S/c13-9-8(11-4-5-12-9)7-2-1-3-10-6-7/h1-6H,(H,12,13).
What are the key properties of 3-pyridin-3-yl-1H-pyrazine-2-thione?
3-pyridin-3-yl-1H-pyrazine-2-thione has a molecular weight of 189.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1H-pyrazine-2-thione is sourced from PubChem (CID 106513816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).