5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine

C16H11N5O2 — CID 135468219

IUPAC5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine
SMILESNc1nc(-c2ccccc2)nc2c1[n+]([O-])c1ccccc1[n+]2[O-]
InChIInChI=1S/C16H11N5O2/c17-14-13-16(19-15(18-14)10-6-2-1-3-7-10)21(23)12-9-5-4-8-11(12)20(13)22/h1-9H,(H2,17,18,19)
InChIKeyYWSUTRFYAQHJFZ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.30
Rot. Bonds1

About 5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine

5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine (PubChem CID 135468219) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine.

Molecular Properties

Compound Name5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine
PubChem CID135468219
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC Name5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine
SMILESNc1nc(-c2ccccc2)nc2c1[n+]([O-])c1ccccc1[n+]2[O-]
InChIInChI=1S/C16H11N5O2/c17-14-13-16(19-15(18-14)10-6-2-1-3-7-10)21(23)12-9-5-4-8-11(12)20(13)22/h1-9H,(H2,17,18,19)
InChIKeyYWSUTRFYAQHJFZ-UHFFFAOYSA-N
XLogP1.30
TPSA105.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine?
The IUPAC name of 5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine (CID 135468219) is 5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine.
What is the SMILES notation for 5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine?
The canonical SMILES for 5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine is Nc1nc(-c2ccccc2)nc2c1[n+]([O-])c1ccccc1[n+]2[O-].
What is the InChIKey of 5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine?
The InChIKey is YWSUTRFYAQHJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c17-14-13-16(19-15(18-14)10-6-2-1-3-7-10)21(23)12-9-5-4-8-11(12)20(13)22/h1-9H,(H2,17,18,19).
What are the key properties of 5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine?
5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine has a molecular weight of 305.30 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dioxido-2-phenylbenzo[g]pteridine-5,10-diium-4-amine is sourced from PubChem (CID 135468219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).