14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene

C14H8BrN3 — CID 163212850

IUPAC14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene
SMILESBrc1ccc2c(c1)cc1ncc3cccnc3n12
InChIInChI=1S/C14H8BrN3/c15-11-3-4-12-10(6-11)7-13-17-8-9-2-1-5-16-14(9)18(12)13/h1-8H
InChIKeyYRNODDLTEOZZBD-UHFFFAOYSA-N
MW298.14 g/mol
LogP3.80
Rot. Bonds

About 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene

14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene (PubChem CID 163212850) has the molecular formula C14H8BrN3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene.

Molecular Properties

Compound Name14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene
PubChem CID163212850
Molecular FormulaC14H8BrN3
Molecular Weight298.14 g/mol
Exact Mass296.99
IUPAC Name14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene
SMILESBrc1ccc2c(c1)cc1ncc3cccnc3n12
InChIInChI=1S/C14H8BrN3/c15-11-3-4-12-10(6-11)7-13-17-8-9-2-1-5-16-14(9)18(12)13/h1-8H
InChIKeyYRNODDLTEOZZBD-UHFFFAOYSA-N
XLogP3.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene?
The IUPAC name of 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene (CID 163212850) is 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene.
What is the SMILES notation for 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene?
The canonical SMILES for 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene is Brc1ccc2c(c1)cc1ncc3cccnc3n12.
What is the InChIKey of 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene?
The InChIKey is YRNODDLTEOZZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3/c15-11-3-4-12-10(6-11)7-13-17-8-9-2-1-5-16-14(9)18(12)13/h1-8H.
What are the key properties of 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene?
14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene has a molecular weight of 298.14 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-bromo-1,3,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene is sourced from PubChem (CID 163212850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).