6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene

C13H11N3 — CID 23323560

IUPAC6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene
SMILESC1=CN2c3nccn3C3=CCC=CC32C=C1
InChIInChI=1S/C13H11N3/c1-2-6-13-7-3-4-9-16(13)12-14-8-10-15(12)11(13)5-1/h2-10H,1H2
InChIKeyUAHYOOZQTCCIPQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.33
Rot. Bonds

About 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene

6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene (PubChem CID 23323560) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene.

Molecular Properties

Compound Name6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene
PubChem CID23323560
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene
SMILESC1=CN2c3nccn3C3=CCC=CC32C=C1
InChIInChI=1S/C13H11N3/c1-2-6-13-7-3-4-9-16(13)12-14-8-10-15(12)11(13)5-1/h2-10H,1H2
InChIKeyUAHYOOZQTCCIPQ-UHFFFAOYSA-N
XLogP2.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene?
The IUPAC name of 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene (CID 23323560) is 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene.
What is the SMILES notation for 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene?
The canonical SMILES for 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene is C1=CN2c3nccn3C3=CCC=CC32C=C1.
What is the InChIKey of 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene?
The InChIKey is UAHYOOZQTCCIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-6-13-7-3-4-9-16(13)12-14-8-10-15(12)11(13)5-1/h2-10H,1H2.
What are the key properties of 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene?
6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene has a molecular weight of 209.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene is sourced from PubChem (CID 23323560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).