5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione

C10H12N4S — CID 81041167

IUPAC5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione
SMILESCC(C)c1cc(=S)n(-c2cnccn2)[nH]1
InChIInChI=1S/C10H12N4S/c1-7(2)8-5-10(15)14(13-8)9-6-11-3-4-12-9/h3-7,13H,1-2H3
InChIKeyPXTWZYRCDJXHRH-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.45
Rot. Bonds2

About 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione

5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione (PubChem CID 81041167) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione.

Molecular Properties

Compound Name5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione
PubChem CID81041167
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione
SMILESCC(C)c1cc(=S)n(-c2cnccn2)[nH]1
InChIInChI=1S/C10H12N4S/c1-7(2)8-5-10(15)14(13-8)9-6-11-3-4-12-9/h3-7,13H,1-2H3
InChIKeyPXTWZYRCDJXHRH-UHFFFAOYSA-N
XLogP2.45
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione?
The IUPAC name of 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione (CID 81041167) is 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione.
What is the SMILES notation for 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione?
The canonical SMILES for 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione is CC(C)c1cc(=S)n(-c2cnccn2)[nH]1.
What is the InChIKey of 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione?
The InChIKey is PXTWZYRCDJXHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7(2)8-5-10(15)14(13-8)9-6-11-3-4-12-9/h3-7,13H,1-2H3.
What are the key properties of 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione?
5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione has a molecular weight of 220.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-pyrazin-2-yl-1H-pyrazole-3-thione is sourced from PubChem (CID 81041167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).