indazol-7-one

C7H4N2O — CID 23033386

IUPACindazol-7-one
SMILESO=C1C=CC=C2C=NN=C12
InChIInChI=1S/C7H4N2O/c10-6-3-1-2-5-4-8-9-7(5)6/h1-4H
InChIKeyANXBKKHTHZUCGT-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.49
Rot. Bonds

About indazol-7-one

indazol-7-one (PubChem CID 23033386) has the molecular formula C7H4N2O and a molecular weight of 132.12 g/mol. Its IUPAC name is indazol-7-one.

Molecular Properties

Compound Nameindazol-7-one
PubChem CID23033386
Molecular FormulaC7H4N2O
Molecular Weight132.12 g/mol
Exact Mass132.03
IUPAC Nameindazol-7-one
SMILESO=C1C=CC=C2C=NN=C12
InChIInChI=1S/C7H4N2O/c10-6-3-1-2-5-4-8-9-7(5)6/h1-4H
InChIKeyANXBKKHTHZUCGT-UHFFFAOYSA-N
XLogP0.49
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of indazol-7-one?
The IUPAC name of indazol-7-one (CID 23033386) is indazol-7-one.
What is the SMILES notation for indazol-7-one?
The canonical SMILES for indazol-7-one is O=C1C=CC=C2C=NN=C12.
What is the InChIKey of indazol-7-one?
The InChIKey is ANXBKKHTHZUCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O/c10-6-3-1-2-5-4-8-9-7(5)6/h1-4H.
What are the key properties of indazol-7-one?
indazol-7-one has a molecular weight of 132.12 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indazol-7-one is sourced from PubChem (CID 23033386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).