1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione

C6H6N3PS — CID 163250719

IUPAC1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione
SMILESPn1ncc2ccc(=S)[nH]c21
InChIInChI=1S/C6H6N3PS/c10-9-6-4(3-7-9)1-2-5(11)8-6/h1-3H,10H2,(H,8,11)
InChIKeyPXPNTVBQQSUQLY-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.73
Rot. Bonds

About 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione

1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione (PubChem CID 163250719) has the molecular formula C6H6N3PS and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione.

Molecular Properties

Compound Name1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione
PubChem CID163250719
Molecular FormulaC6H6N3PS
Molecular Weight183.18 g/mol
Exact Mass183.00
IUPAC Name1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione
SMILESPn1ncc2ccc(=S)[nH]c21
InChIInChI=1S/C6H6N3PS/c10-9-6-4(3-7-9)1-2-5(11)8-6/h1-3H,10H2,(H,8,11)
InChIKeyPXPNTVBQQSUQLY-UHFFFAOYSA-N
XLogP1.73
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione?
The IUPAC name of 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione (CID 163250719) is 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione.
What is the SMILES notation for 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione?
The canonical SMILES for 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione is Pn1ncc2ccc(=S)[nH]c21.
What is the InChIKey of 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione?
The InChIKey is PXPNTVBQQSUQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3PS/c10-9-6-4(3-7-9)1-2-5(11)8-6/h1-3H,10H2,(H,8,11).
What are the key properties of 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione?
1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione has a molecular weight of 183.18 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanyl-7H-pyrazolo[5,4-b]pyridine-6-thione is sourced from PubChem (CID 163250719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).