5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene

C13H13BrN2 — CID 67261781

IUPAC5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene
SMILESBrC1=CC2=NC3=CCCCCC3=CN2C=C1
InChIInChI=1S/C13H13BrN2/c14-11-6-7-16-9-10-4-2-1-3-5-12(10)15-13(16)8-11/h5-9H,1-4H2
InChIKeyHSPKIDISWVABKY-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.85
Rot. Bonds

About 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene

5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene (PubChem CID 67261781) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene.

Molecular Properties

Compound Name5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene
PubChem CID67261781
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene
SMILESBrC1=CC2=NC3=CCCCCC3=CN2C=C1
InChIInChI=1S/C13H13BrN2/c14-11-6-7-16-9-10-4-2-1-3-5-12(10)15-13(16)8-11/h5-9H,1-4H2
InChIKeyHSPKIDISWVABKY-UHFFFAOYSA-N
XLogP3.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene 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 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene?
The IUPAC name of 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene (CID 67261781) is 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene.
What is the SMILES notation for 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene?
The canonical SMILES for 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene is BrC1=CC2=NC3=CCCCCC3=CN2C=C1.
What is the InChIKey of 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene?
The InChIKey is HSPKIDISWVABKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c14-11-6-7-16-9-10-4-2-1-3-5-12(10)15-13(16)8-11/h5-9H,1-4H2.
What are the key properties of 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene?
5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene has a molecular weight of 277.17 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene is sourced from PubChem (CID 67261781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).