pyrazolo[1,5-a]pyrazine-6-thiol

C6H5N3S — CID 155055373

IUPACpyrazolo[1,5-a]pyrazine-6-thiol
SMILESSc1cn2nccc2cn1
InChIInChI=1S/C6H5N3S/c10-6-4-9-5(3-7-6)1-2-8-9/h1-4,10H
InChIKeyURPXHGOTNIBVHT-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.02
Rot. Bonds

About pyrazolo[1,5-a]pyrazine-6-thiol

pyrazolo[1,5-a]pyrazine-6-thiol (PubChem CID 155055373) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrazine-6-thiol.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrazine-6-thiol
PubChem CID155055373
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Namepyrazolo[1,5-a]pyrazine-6-thiol
SMILESSc1cn2nccc2cn1
InChIInChI=1S/C6H5N3S/c10-6-4-9-5(3-7-6)1-2-8-9/h1-4,10H
InChIKeyURPXHGOTNIBVHT-UHFFFAOYSA-N
XLogP1.02
TPSA30.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrazine-6-thiol?
The IUPAC name of pyrazolo[1,5-a]pyrazine-6-thiol (CID 155055373) is pyrazolo[1,5-a]pyrazine-6-thiol.
What is the SMILES notation for pyrazolo[1,5-a]pyrazine-6-thiol?
The canonical SMILES for pyrazolo[1,5-a]pyrazine-6-thiol is Sc1cn2nccc2cn1.
What is the InChIKey of pyrazolo[1,5-a]pyrazine-6-thiol?
The InChIKey is URPXHGOTNIBVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c10-6-4-9-5(3-7-6)1-2-8-9/h1-4,10H.
What are the key properties of pyrazolo[1,5-a]pyrazine-6-thiol?
pyrazolo[1,5-a]pyrazine-6-thiol has a molecular weight of 151.19 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrazine-6-thiol is sourced from PubChem (CID 155055373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).