7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C6H6IN3O2 — CID 146049539

IUPAC7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCC(O)n2ncc(I)c21
InChIInChI=1S/C6H6IN3O2/c7-3-1-9-10-4(11)2-8-6(12)5(3)10/h1,4,11H,2H2,(H,8,12)
InChIKeyWUSBYSNLOSAAEH-UHFFFAOYSA-N
MW279.04 g/mol
LogP-0.28
Rot. Bonds

About 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146049539) has the molecular formula C6H6IN3O2 and a molecular weight of 279.04 g/mol. Its IUPAC name is 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID146049539
Molecular FormulaC6H6IN3O2
Molecular Weight279.04 g/mol
Exact Mass278.95
IUPAC Name7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCC(O)n2ncc(I)c21
InChIInChI=1S/C6H6IN3O2/c7-3-1-9-10-4(11)2-8-6(12)5(3)10/h1,4,11H,2H2,(H,8,12)
InChIKeyWUSBYSNLOSAAEH-UHFFFAOYSA-N
XLogP-0.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.04
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 146049539) is 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCC(O)n2ncc(I)c21.
What is the InChIKey of 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WUSBYSNLOSAAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3O2/c7-3-1-9-10-4(11)2-8-6(12)5(3)10/h1,4,11H,2H2,(H,8,12).
What are the key properties of 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 279.04 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146049539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).