2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene

C14H9N3 — CID 141277336

IUPAC2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene
SMILESc1ccc2nc3cc4cncc4cc3n2cc1
InChIInChI=1S/C14H9N3/c1-2-4-14-16-12-6-10-8-15-9-11(10)7-13(12)17(14)5-3-1/h1-9H
InChIKeyWIEALJFAQWZLEV-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.04
Rot. Bonds

About 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene

2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene (PubChem CID 141277336) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene
PubChem CID141277336
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene
SMILESc1ccc2nc3cc4cncc4cc3n2cc1
InChIInChI=1S/C14H9N3/c1-2-4-14-16-12-6-10-8-15-9-11(10)7-13(12)17(14)5-3-1/h1-9H
InChIKeyWIEALJFAQWZLEV-UHFFFAOYSA-N
XLogP3.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene?
The IUPAC name of 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene (CID 141277336) is 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene?
The canonical SMILES for 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene is c1ccc2nc3cc4cncc4cc3n2cc1.
What is the InChIKey of 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene?
The InChIKey is WIEALJFAQWZLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-2-4-14-16-12-6-10-8-15-9-11(10)7-13(12)17(14)5-3-1/h1-9H.
What are the key properties of 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene?
2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene has a molecular weight of 219.25 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,14-triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 141277336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).