2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

C15H13N3O2 — CID 67798997

IUPAC2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
SMILESO=C1Nc2ccncc2C2(c3ccccc3)OCCN12
InChIInChI=1S/C15H13N3O2/c19-14-17-13-6-7-16-10-12(13)15(18(14)8-9-20-15)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,19)
InChIKeyWGZOICAMEHYKSB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.16
Rot. Bonds1

About 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one (PubChem CID 67798997) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one.

Molecular Properties

Compound Name2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
PubChem CID67798997
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
SMILESO=C1Nc2ccncc2C2(c3ccccc3)OCCN12
InChIInChI=1S/C15H13N3O2/c19-14-17-13-6-7-16-10-12(13)15(18(14)8-9-20-15)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,19)
InChIKeyWGZOICAMEHYKSB-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The IUPAC name of 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one (CID 67798997) is 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one.
What is the SMILES notation for 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The canonical SMILES for 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one is O=C1Nc2ccncc2C2(c3ccccc3)OCCN12.
What is the InChIKey of 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The InChIKey is WGZOICAMEHYKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14-17-13-6-7-16-10-12(13)15(18(14)8-9-20-15)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,19).
What are the key properties of 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one has a molecular weight of 267.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one is sourced from PubChem (CID 67798997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).