9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

C16H11N3O2 — CID 24780250

IUPAC9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESO=C1NC(=O)c2c1c1c(c3[nH]c4ncccc4c23)CCC1
InChIInChI=1S/C16H11N3O2/c20-15-11-7-3-1-4-8(7)13-10(12(11)16(21)19-15)9-5-2-6-17-14(9)18-13/h2,5-6H,1,3-4H2,(H,17,18)(H,19,20,21)
InChIKeyYGWPIUHAZYRDLV-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.09
Rot. Bonds

About 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (PubChem CID 24780250) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.

Molecular Properties

Compound Name9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
PubChem CID24780250
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESO=C1NC(=O)c2c1c1c(c3[nH]c4ncccc4c23)CCC1
InChIInChI=1S/C16H11N3O2/c20-15-11-7-3-1-4-8(7)13-10(12(11)16(21)19-15)9-5-2-6-17-14(9)18-13/h2,5-6H,1,3-4H2,(H,17,18)(H,19,20,21)
InChIKeyYGWPIUHAZYRDLV-UHFFFAOYSA-N
XLogP2.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The IUPAC name of 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (CID 24780250) is 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.
What is the SMILES notation for 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The canonical SMILES for 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is O=C1NC(=O)c2c1c1c(c3[nH]c4ncccc4c23)CCC1.
What is the InChIKey of 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The InChIKey is YGWPIUHAZYRDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-15-11-7-3-1-4-8(7)13-10(12(11)16(21)19-15)9-5-2-6-17-14(9)18-13/h2,5-6H,1,3-4H2,(H,17,18)(H,19,20,21).
What are the key properties of 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione has a molecular weight of 277.28 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is sourced from PubChem (CID 24780250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).