6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium

C6H5N3O — CID 141387683

IUPAC6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium
SMILES[O-][N+]1=CC=C2C=NN=C2C1
InChIInChI=1S/C6H5N3O/c10-9-2-1-5-3-7-8-6(5)4-9/h1-3H,4H2
InChIKeyYHEBBAZXCCSZFJ-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.05
Rot. Bonds

About 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium

6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium (PubChem CID 141387683) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium.

Molecular Properties

Compound Name6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium
PubChem CID141387683
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium
SMILES[O-][N+]1=CC=C2C=NN=C2C1
InChIInChI=1S/C6H5N3O/c10-9-2-1-5-3-7-8-6(5)4-9/h1-3H,4H2
InChIKeyYHEBBAZXCCSZFJ-UHFFFAOYSA-N
XLogP-0.05
TPSA50.79 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 ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,7-dihydro-2H-pyrrolo[3,4-b]pyridine
CID 90746963
5H-pyrazolo[3,4-c]pyridine
CID 97292072
7H-Pyrazolo[3,4-c]pyridine
CID 153804344

Frequently Asked Questions

What is the IUPAC name of 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium?
The IUPAC name of 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium (CID 141387683) is 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium.
What is the SMILES notation for 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium?
The canonical SMILES for 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium is [O-][N+]1=CC=C2C=NN=C2C1.
What is the InChIKey of 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium?
The InChIKey is YHEBBAZXCCSZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-9-2-1-5-3-7-8-6(5)4-9/h1-3H,4H2.
What are the key properties of 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium?
6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium has a molecular weight of 135.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxido-7H-pyrazolo[3,4-c]pyridin-6-ium is sourced from PubChem (CID 141387683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).