8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione

C14H9N3O3 — CID 10015802

IUPAC8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione
SMILESO=C1OCc2nc3[nH][nH]c(=O)c3c(-c3ccccc3)c21
InChIInChI=1S/C14H9N3O3/c18-13-11-9(7-4-2-1-3-5-7)10-8(6-20-14(10)19)15-12(11)16-17-13/h1-5H,6H2,(H2,15,16,17,18)
InChIKeySKHQIOICUHUMCR-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.59
Rot. Bonds1

About 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione

8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione (PubChem CID 10015802) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione.

Molecular Properties

Compound Name8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione
PubChem CID10015802
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione
SMILESO=C1OCc2nc3[nH][nH]c(=O)c3c(-c3ccccc3)c21
InChIInChI=1S/C14H9N3O3/c18-13-11-9(7-4-2-1-3-5-7)10-8(6-20-14(10)19)15-12(11)16-17-13/h1-5H,6H2,(H2,15,16,17,18)
InChIKeySKHQIOICUHUMCR-UHFFFAOYSA-N
XLogP1.59
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione?
The IUPAC name of 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione (CID 10015802) is 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione.
What is the SMILES notation for 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione?
The canonical SMILES for 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione is O=C1OCc2nc3[nH][nH]c(=O)c3c(-c3ccccc3)c21.
What is the InChIKey of 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione?
The InChIKey is SKHQIOICUHUMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-13-11-9(7-4-2-1-3-5-7)10-8(6-20-14(10)19)15-12(11)16-17-13/h1-5H,6H2,(H2,15,16,17,18).
What are the key properties of 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione?
8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione has a molecular weight of 267.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene-6,10-dione is sourced from PubChem (CID 10015802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).