17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C13H7N3Se — CID 70813581

IUPAC17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc2nc3[se]c4cncnc4c3cc2c1
InChIInChI=1S/C13H7N3Se/c1-2-4-10-8(3-1)5-9-12-11(6-14-7-15-12)17-13(9)16-10/h1-7H
InChIKeyYRJQROPESMFJKT-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.39
Rot. Bonds

About 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 70813581) has the molecular formula C13H7N3Se and a molecular weight of 284.18 g/mol. Its IUPAC name is 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID70813581
Molecular FormulaC13H7N3Se
Molecular Weight284.18 g/mol
Exact Mass284.98
IUPAC Name17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc2nc3[se]c4cncnc4c3cc2c1
InChIInChI=1S/C13H7N3Se/c1-2-4-10-8(3-1)5-9-12-11(6-14-7-15-12)17-13(9)16-10/h1-7H
InChIKeyYRJQROPESMFJKT-UHFFFAOYSA-N
XLogP2.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 70813581) is 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is c1ccc2nc3[se]c4cncnc4c3cc2c1.
What is the InChIKey of 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is YRJQROPESMFJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3Se/c1-2-4-10-8(3-1)5-9-12-11(6-14-7-15-12)17-13(9)16-10/h1-7H.
What are the key properties of 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 284.18 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-selena-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 70813581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).