3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C12H9N3O2 — CID 62686224

IUPAC3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1c1n[nH]c2ccccc12
InChIInChI=1S/C12H9N3O2/c16-11-7-5-8(7)12(17)15(11)10-6-3-1-2-4-9(6)13-14-10/h1-4,7-8H,5H2,(H,13,14)
InChIKeyNXUDORVALJJMNG-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.07
Rot. Bonds1

About 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 62686224) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID62686224
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1c1n[nH]c2ccccc12
InChIInChI=1S/C12H9N3O2/c16-11-7-5-8(7)12(17)15(11)10-6-3-1-2-4-9(6)13-14-10/h1-4,7-8H,5H2,(H,13,14)
InChIKeyNXUDORVALJJMNG-UHFFFAOYSA-N
XLogP1.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 62686224) is 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1c1n[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is NXUDORVALJJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-11-7-5-8(7)12(17)15(11)10-6-3-1-2-4-9(6)13-14-10/h1-4,7-8H,5H2,(H,13,14).
What are the key properties of 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 227.22 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 62686224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).