1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione

C7H6N4S — CID 3077008

IUPAC1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione
SMILESC=Cn1ncc2[nH]c(=S)cnc21
InChIInChI=1S/C7H6N4S/c1-2-11-7-5(3-9-11)10-6(12)4-8-7/h2-4H,1H2,(H,10,12)
InChIKeyKEUHGODYIPSIRH-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.59
Rot. Bonds1

About 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione

1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione (PubChem CID 3077008) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione.

Molecular Properties

Compound Name1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione
PubChem CID3077008
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione
SMILESC=Cn1ncc2[nH]c(=S)cnc21
InChIInChI=1S/C7H6N4S/c1-2-11-7-5(3-9-11)10-6(12)4-8-7/h2-4H,1H2,(H,10,12)
InChIKeyKEUHGODYIPSIRH-UHFFFAOYSA-N
XLogP1.59
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-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 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione?
The IUPAC name of 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione (CID 3077008) is 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione.
What is the SMILES notation for 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione?
The canonical SMILES for 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione is C=Cn1ncc2[nH]c(=S)cnc21.
What is the InChIKey of 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione?
The InChIKey is KEUHGODYIPSIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c1-2-11-7-5(3-9-11)10-6(12)4-8-7/h2-4H,1H2,(H,10,12).
What are the key properties of 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione?
1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione has a molecular weight of 178.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione is sourced from PubChem (CID 3077008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).