benzo[g]phthalazine-5,10-dione

C12H6N2O2 — CID 54410966

IUPACbenzo[g]phthalazine-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2cnncc21
InChIInChI=1S/C12H6N2O2/c15-11-7-3-1-2-4-8(7)12(16)10-6-14-13-5-9(10)11/h1-6H
InChIKeyVUCRHUZTFILZPG-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.25
Rot. Bonds

About benzo[g]phthalazine-5,10-dione

benzo[g]phthalazine-5,10-dione (PubChem CID 54410966) has the molecular formula C12H6N2O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is benzo[g]phthalazine-5,10-dione.

Molecular Properties

Compound Namebenzo[g]phthalazine-5,10-dione
PubChem CID54410966
Molecular FormulaC12H6N2O2
Molecular Weight210.19 g/mol
Exact Mass210.04
IUPAC Namebenzo[g]phthalazine-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2cnncc21
InChIInChI=1S/C12H6N2O2/c15-11-7-3-1-2-4-8(7)12(16)10-6-14-13-5-9(10)11/h1-6H
InChIKeyVUCRHUZTFILZPG-UHFFFAOYSA-N
XLogP1.25
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[g]phthalazine-5,10-dione?
The IUPAC name of benzo[g]phthalazine-5,10-dione (CID 54410966) is benzo[g]phthalazine-5,10-dione.
What is the SMILES notation for benzo[g]phthalazine-5,10-dione?
The canonical SMILES for benzo[g]phthalazine-5,10-dione is O=C1c2ccccc2C(=O)c2cnncc21.
What is the InChIKey of benzo[g]phthalazine-5,10-dione?
The InChIKey is VUCRHUZTFILZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O2/c15-11-7-3-1-2-4-8(7)12(16)10-6-14-13-5-9(10)11/h1-6H.
What are the key properties of benzo[g]phthalazine-5,10-dione?
benzo[g]phthalazine-5,10-dione has a molecular weight of 210.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g]phthalazine-5,10-dione is sourced from PubChem (CID 54410966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).