3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene

C10H4N6 — CID 67008728

IUPAC3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=Nc2c(c3c(c4ncncc24)N=CN=3)=N1
InChIInChI=1S/C10H4N6/c1-5-6(12-2-11-1)8-10(16-4-15-8)9-7(5)13-3-14-9/h1-4H
InChIKeyAPLULFDQPNDGDT-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.22
Rot. Bonds

About 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene

3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 67008728) has the molecular formula C10H4N6 and a molecular weight of 208.18 g/mol. Its IUPAC name is 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID67008728
Molecular FormulaC10H4N6
Molecular Weight208.18 g/mol
Exact Mass208.05
IUPAC Name3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=Nc2c(c3c(c4ncncc24)N=CN=3)=N1
InChIInChI=1S/C10H4N6/c1-5-6(12-2-11-1)8-10(16-4-15-8)9-7(5)13-3-14-9/h1-4H
InChIKeyAPLULFDQPNDGDT-UHFFFAOYSA-N
XLogP0.22
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 67008728) is 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene is C1=Nc2c(c3c(c4ncncc24)N=CN=3)=N1.
What is the InChIKey of 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is APLULFDQPNDGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N6/c1-5-6(12-2-11-1)8-10(16-4-15-8)9-7(5)13-3-14-9/h1-4H.
What are the key properties of 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene?
3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 208.18 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8,10,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 67008728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).