5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine

C10H8N6O2 — CID 135468218

IUPAC5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine
SMILESNc1nc(N)c2c(n1)[n+]([O-])c1ccccc1[n+]2[O-]
InChIInChI=1S/C10H8N6O2/c11-8-7-9(14-10(12)13-8)16(18)6-4-2-1-3-5(6)15(7)17/h1-4H,(H4,11,12,13,14)
InChIKeyZDRRTQAFZCGCRB-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.79
Rot. Bonds

About 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine

5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine (PubChem CID 135468218) has the molecular formula C10H8N6O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine.

Molecular Properties

Compound Name5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine
PubChem CID135468218
Molecular FormulaC10H8N6O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine
SMILESNc1nc(N)c2c(n1)[n+]([O-])c1ccccc1[n+]2[O-]
InChIInChI=1S/C10H8N6O2/c11-8-7-9(14-10(12)13-8)16(18)6-4-2-1-3-5(6)15(7)17/h1-4H,(H4,11,12,13,14)
InChIKeyZDRRTQAFZCGCRB-UHFFFAOYSA-N
XLogP-0.79
TPSA131.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine?
The IUPAC name of 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine (CID 135468218) is 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine.
What is the SMILES notation for 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine?
The canonical SMILES for 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine is Nc1nc(N)c2c(n1)[n+]([O-])c1ccccc1[n+]2[O-].
What is the InChIKey of 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine?
The InChIKey is ZDRRTQAFZCGCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2/c11-8-7-9(14-10(12)13-8)16(18)6-4-2-1-3-5(6)15(7)17/h1-4H,(H4,11,12,13,14).
What are the key properties of 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine?
5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine has a molecular weight of 244.21 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dioxidobenzo[g]pteridine-5,10-diium-2,4-diamine is sourced from PubChem (CID 135468218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).