3-imino-4H-pyrazolo[4,3-b]pyridin-5-one

C6H4N4O — CID 154482566

IUPAC3-imino-4H-pyrazolo[4,3-b]pyridin-5-one
SMILES[H]/N=C1\N=Nc2ccc(=O)[nH]c21
InChIInChI=1S/C6H4N4O/c7-6-5-3(9-10-6)1-2-4(11)8-5/h1-2,7H,(H,8,11)/b7-6-
InChIKeyYVOZXMNANYRUDE-SREVYHEPSA-N
MW148.12 g/mol
LogP0.80
Rot. Bonds

About 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one

3-imino-4H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 154482566) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-imino-4H-pyrazolo[4,3-b]pyridin-5-one
PubChem CID154482566
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name3-imino-4H-pyrazolo[4,3-b]pyridin-5-one
SMILES[H]/N=C1\N=Nc2ccc(=O)[nH]c21
InChIInChI=1S/C6H4N4O/c7-6-5-3(9-10-6)1-2-4(11)8-5/h1-2,7H,(H,8,11)/b7-6-
InChIKeyYVOZXMNANYRUDE-SREVYHEPSA-N
XLogP0.80
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one (CID 154482566) is 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one is [H]/N=C1\N=Nc2ccc(=O)[nH]c21.
What is the InChIKey of 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is YVOZXMNANYRUDE-SREVYHEPSA-N. The full InChI is InChI=1S/C6H4N4O/c7-6-5-3(9-10-6)1-2-4(11)8-5/h1-2,7H,(H,8,11)/b7-6-.
What are the key properties of 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one?
3-imino-4H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 148.12 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 154482566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).