1,7-dihydropyrazolo[5,4-b]pyridine-6-thione

C6H5N3S — CID 163251322

IUPAC1,7-dihydropyrazolo[5,4-b]pyridine-6-thione
SMILESS=c1ccc2cn[nH]c2[nH]1
InChIInChI=1S/C6H5N3S/c10-5-2-1-4-3-7-9-6(4)8-5/h1-3H,(H2,7,8,9,10)
InChIKeyGVTVEVYXZLOUJG-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.62
Rot. Bonds

About 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione

1,7-dihydropyrazolo[5,4-b]pyridine-6-thione (PubChem CID 163251322) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione.

Molecular Properties

Compound Name1,7-dihydropyrazolo[5,4-b]pyridine-6-thione
PubChem CID163251322
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name1,7-dihydropyrazolo[5,4-b]pyridine-6-thione
SMILESS=c1ccc2cn[nH]c2[nH]1
InChIInChI=1S/C6H5N3S/c10-5-2-1-4-3-7-9-6(4)8-5/h1-3H,(H2,7,8,9,10)
InChIKeyGVTVEVYXZLOUJG-UHFFFAOYSA-N
XLogP1.62
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrazolo[3,4-b]pyridin-6-ol
CID 135741701
7-Hydroxy-1,6-dihydropyrazolo[5,4-b]pyridine
CID 88074712
2,6-dihydro-1H-pyrazolo[3,4-b]pyridine
CID 136082575
1,6,7,8-Tetrahydropyrazolo[5,4-b]azepine
CID 136634634
5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 136647724
ethane;5-methyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine;molecular hydrogen;propane
CID 144341717
5-methyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 144341718
1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione
CID 163250719

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione?
The IUPAC name of 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione (CID 163251322) is 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione.
What is the SMILES notation for 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione?
The canonical SMILES for 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione is S=c1ccc2cn[nH]c2[nH]1.
What is the InChIKey of 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione?
The InChIKey is GVTVEVYXZLOUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c10-5-2-1-4-3-7-9-6(4)8-5/h1-3H,(H2,7,8,9,10).
What are the key properties of 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione?
1,7-dihydropyrazolo[5,4-b]pyridine-6-thione has a molecular weight of 151.19 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrazolo[5,4-b]pyridine-6-thione is sourced from PubChem (CID 163251322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).