3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one

C19H13N4O3P — CID 11234233

IUPAC3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one
SMILESO=c1c2ncccc2nnn1OP1(=O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H13N4O3P/c24-19-18-15(8-5-11-20-18)21-22-23(19)26-27(25)16-9-3-1-6-13(16)12-14-7-2-4-10-17(14)27/h1-11H,12H2
InChIKeyDONLJMKTEJUXEY-UHFFFAOYSA-N
MW376.31 g/mol
LogP1.45
Rot. Bonds2

About 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one

3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one (PubChem CID 11234233) has the molecular formula C19H13N4O3P and a molecular weight of 376.31 g/mol. Its IUPAC name is 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one.

Molecular Properties

Compound Name3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one
PubChem CID11234233
Molecular FormulaC19H13N4O3P
Molecular Weight376.31 g/mol
Exact Mass376.07
IUPAC Name3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one
SMILESO=c1c2ncccc2nnn1OP1(=O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H13N4O3P/c24-19-18-15(8-5-11-20-18)21-22-23(19)26-27(25)16-9-3-1-6-13(16)12-14-7-2-4-10-17(14)27/h1-11H,12H2
InChIKeyDONLJMKTEJUXEY-UHFFFAOYSA-N
XLogP1.45
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one?
The IUPAC name of 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one (CID 11234233) is 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one.
What is the SMILES notation for 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one?
The canonical SMILES for 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one is O=c1c2ncccc2nnn1OP1(=O)c2ccccc2Cc2ccccc21.
What is the InChIKey of 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one?
The InChIKey is DONLJMKTEJUXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N4O3P/c24-19-18-15(8-5-11-20-18)21-22-23(19)26-27(25)16-9-3-1-6-13(16)12-14-7-2-4-10-17(14)27/h1-11H,12H2.
What are the key properties of 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one?
3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one has a molecular weight of 376.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-10H-acridophosphin-5-yl)oxy]pyrido[3,2-d]triazin-4-one is sourced from PubChem (CID 11234233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).