5-oxidopyrazolo[1,5-a]pyrazin-5-ium

C6H5N3O — CID 118978565

IUPAC5-oxidopyrazolo[1,5-a]pyrazin-5-ium
SMILES[O-][n+]1ccn2nccc2c1
InChIInChI=1S/C6H5N3O/c10-8-3-4-9-6(5-8)1-2-7-9/h1-5H
InChIKeyFMQQQOZMZTXXOD-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.03
Rot. Bonds

About 5-oxidopyrazolo[1,5-a]pyrazin-5-ium

5-oxidopyrazolo[1,5-a]pyrazin-5-ium (PubChem CID 118978565) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-oxidopyrazolo[1,5-a]pyrazin-5-ium.

Molecular Properties

Compound Name5-oxidopyrazolo[1,5-a]pyrazin-5-ium
PubChem CID118978565
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5-oxidopyrazolo[1,5-a]pyrazin-5-ium
SMILES[O-][n+]1ccn2nccc2c1
InChIInChI=1S/C6H5N3O/c10-8-3-4-9-6(5-8)1-2-7-9/h1-5H
InChIKeyFMQQQOZMZTXXOD-UHFFFAOYSA-N
XLogP-0.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxidopyrazolo[1,5-a]pyrazin-5-ium?
The IUPAC name of 5-oxidopyrazolo[1,5-a]pyrazin-5-ium (CID 118978565) is 5-oxidopyrazolo[1,5-a]pyrazin-5-ium.
What is the SMILES notation for 5-oxidopyrazolo[1,5-a]pyrazin-5-ium?
The canonical SMILES for 5-oxidopyrazolo[1,5-a]pyrazin-5-ium is [O-][n+]1ccn2nccc2c1.
What is the InChIKey of 5-oxidopyrazolo[1,5-a]pyrazin-5-ium?
The InChIKey is FMQQQOZMZTXXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-8-3-4-9-6(5-8)1-2-7-9/h1-5H.
What are the key properties of 5-oxidopyrazolo[1,5-a]pyrazin-5-ium?
5-oxidopyrazolo[1,5-a]pyrazin-5-ium has a molecular weight of 135.13 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxidopyrazolo[1,5-a]pyrazin-5-ium is sourced from PubChem (CID 118978565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).