2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene

C13H8N4 — CID 91392662

IUPAC2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene
SMILESC1=CC2=NC=NC23N=c2ccccc2=NC3=C1
InChIInChI=1S/C13H8N4/c1-2-5-10-9(4-1)16-12-7-3-6-11-13(12,17-10)15-8-14-11/h1-8H
InChIKeyMCGLGJVFMQJBGX-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.57
Rot. Bonds

About 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene

2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene (PubChem CID 91392662) has the molecular formula C13H8N4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene.

Molecular Properties

Compound Name2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene
PubChem CID91392662
Molecular FormulaC13H8N4
Molecular Weight220.24 g/mol
Exact Mass220.07
IUPAC Name2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene
SMILESC1=CC2=NC=NC23N=c2ccccc2=NC3=C1
InChIInChI=1S/C13H8N4/c1-2-5-10-9(4-1)16-12-7-3-6-11-13(12,17-10)15-8-14-11/h1-8H
InChIKeyMCGLGJVFMQJBGX-UHFFFAOYSA-N
XLogP0.57
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene?
The IUPAC name of 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene (CID 91392662) is 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene.
What is the SMILES notation for 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene?
The canonical SMILES for 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene is C1=CC2=NC=NC23N=c2ccccc2=NC3=C1.
What is the InChIKey of 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene?
The InChIKey is MCGLGJVFMQJBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4/c1-2-5-10-9(4-1)16-12-7-3-6-11-13(12,17-10)15-8-14-11/h1-8H.
What are the key properties of 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene?
2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene has a molecular weight of 220.24 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene is sourced from PubChem (CID 91392662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).