2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene

C14H9N3 — CID 156600129

IUPAC2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene
SMILESc1ccc2c(c1)cc1nc3cnc[nH]c3cc12
InChIInChI=1S/C14H9N3/c1-2-4-10-9(3-1)5-12-11(10)6-13-14(17-12)7-15-8-16-13/h1-8H,(H,15,16)
InChIKeyUEHBFFCOGIGYQG-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.26
Rot. Bonds

About 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene

2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene (PubChem CID 156600129) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene.

Molecular Properties

Compound Name2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene
PubChem CID156600129
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene
SMILESc1ccc2c(c1)cc1nc3cnc[nH]c3cc12
InChIInChI=1S/C14H9N3/c1-2-4-10-9(3-1)5-12-11(10)6-13-14(17-12)7-15-8-16-13/h1-8H,(H,15,16)
InChIKeyUEHBFFCOGIGYQG-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Pyrazinopyridoindole
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1H-imidazo[4,5-f][1,8]phenanthroline
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4,6,12-Triazatricyclo[7.6.0.03,7]pentadeca-1(15),2,5,7,9,11,13-heptaene
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Frequently Asked Questions

What is the IUPAC name of 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene?
The IUPAC name of 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene (CID 156600129) is 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene.
What is the SMILES notation for 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene?
The canonical SMILES for 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene is c1ccc2c(c1)cc1nc3cnc[nH]c3cc12.
What is the InChIKey of 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene?
The InChIKey is UEHBFFCOGIGYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-2-4-10-9(3-1)5-12-11(10)6-13-14(17-12)7-15-8-16-13/h1-8H,(H,15,16).
What are the key properties of 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene?
2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene has a molecular weight of 219.25 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 2,5,7-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene is sourced from PubChem (CID 156600129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).