8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one

C16H9N3O2 — CID 135527483

IUPAC8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one
SMILESO=c1[nH]c(O)c2c1c1c3ccccc3nc1c1cccn12
InChIInChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,21H,(H,18,20)
InChIKeyLIZRYKWHCYLTTA-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.63
Rot. Bonds

About 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one

8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one (PubChem CID 135527483) has the molecular formula C16H9N3O2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one.

Molecular Properties

Compound Name8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one
PubChem CID135527483
Molecular FormulaC16H9N3O2
Molecular Weight275.27 g/mol
Exact Mass275.07
IUPAC Name8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one
SMILESO=c1[nH]c(O)c2c1c1c3ccccc3nc1c1cccn12
InChIInChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,21H,(H,18,20)
InChIKeyLIZRYKWHCYLTTA-UHFFFAOYSA-N
XLogP2.63
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one?
The IUPAC name of 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one (CID 135527483) is 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one.
What is the SMILES notation for 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one?
The canonical SMILES for 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one is O=c1[nH]c(O)c2c1c1c3ccccc3nc1c1cccn12.
What is the InChIKey of 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one?
The InChIKey is LIZRYKWHCYLTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,21H,(H,18,20).
What are the key properties of 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one?
8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one has a molecular weight of 275.27 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one is sourced from PubChem (CID 135527483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).