7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione

C12H10N4O2 — CID 5326566

IUPAC7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C
InChIInChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKeyZJTJUVIJVLLGSP-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.78
Rot. Bonds

About 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione

7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione (PubChem CID 5326566) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
PubChem CID5326566
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C
InChIInChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKeyZJTJUVIJVLLGSP-UHFFFAOYSA-N
XLogP0.78
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione (CID 5326566) is 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione is Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C.
What is the InChIKey of 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione?
The InChIKey is ZJTJUVIJVLLGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione?
7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione has a molecular weight of 242.24 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 5326566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).