3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene

C15H19BrN2 — CID 10286373

IUPAC3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
SMILESBrc1cc2c3c(c1)C1CCCC1CN3CCNC2
InChIInChI=1S/C15H19BrN2/c16-12-6-11-8-17-4-5-18-9-10-2-1-3-13(10)14(7-12)15(11)18/h6-7,10,13,17H,1-5,8-9H2
InChIKeyKJLYPEULLAOJSQ-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.26
Rot. Bonds

About 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene

3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene (PubChem CID 10286373) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene.

Molecular Properties

Compound Name3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
PubChem CID10286373
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
SMILESBrc1cc2c3c(c1)C1CCCC1CN3CCNC2
InChIInChI=1S/C15H19BrN2/c16-12-6-11-8-17-4-5-18-9-10-2-1-3-13(10)14(7-12)15(11)18/h6-7,10,13,17H,1-5,8-9H2
InChIKeyKJLYPEULLAOJSQ-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene?
The IUPAC name of 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene (CID 10286373) is 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene.
What is the SMILES notation for 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene?
The canonical SMILES for 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene is Brc1cc2c3c(c1)C1CCCC1CN3CCNC2.
What is the InChIKey of 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene?
The InChIKey is KJLYPEULLAOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c16-12-6-11-8-17-4-5-18-9-10-2-1-3-13(10)14(7-12)15(11)18/h6-7,10,13,17H,1-5,8-9H2.
What are the key properties of 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene?
3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene has a molecular weight of 307.24 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene is sourced from PubChem (CID 10286373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).