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

C10H6N4O2 — CID 5372720

IUPAC1H-benzo[g]pteridine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1
InChIInChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
InChIKeyHAUGRYOERYOXHX-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.16
Rot. Bonds

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

1H-benzo[g]pteridine-2,4-dione (PubChem CID 5372720) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name1H-benzo[g]pteridine-2,4-dione
PubChem CID5372720
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name1H-benzo[g]pteridine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1
InChIInChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
InChIKeyHAUGRYOERYOXHX-UHFFFAOYSA-N
XLogP0.16
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.16
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 1H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 1H-benzo[g]pteridine-2,4-dione (CID 5372720) is 1H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 1H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 1H-benzo[g]pteridine-2,4-dione is O=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1.
What is the InChIKey of 1H-benzo[g]pteridine-2,4-dione?
The InChIKey is HAUGRYOERYOXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16).
What are the key properties of 1H-benzo[g]pteridine-2,4-dione?
1H-benzo[g]pteridine-2,4-dione has a molecular weight of 214.18 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 5372720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).