2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene

C10H6N6 — CID 17228800

IUPAC2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene
SMILESc1cc2c3cnc4ncnn4c3ccn2n1
InChIInChI=1S/C10H6N6/c1-3-13-15-4-2-9-7(8(1)15)5-11-10-12-6-14-16(9)10/h1-6H
InChIKeyLTXCMOOZECDDLY-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.93
Rot. Bonds

About 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene

2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene (PubChem CID 17228800) has the molecular formula C10H6N6 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene.

Molecular Properties

Compound Name2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene
PubChem CID17228800
Molecular FormulaC10H6N6
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene
SMILESc1cc2c3cnc4ncnn4c3ccn2n1
InChIInChI=1S/C10H6N6/c1-3-13-15-4-2-9-7(8(1)15)5-11-10-12-6-14-16(9)10/h1-6H
InChIKeyLTXCMOOZECDDLY-UHFFFAOYSA-N
XLogP0.93
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene?
The IUPAC name of 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene (CID 17228800) is 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene.
What is the SMILES notation for 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene?
The canonical SMILES for 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene is c1cc2c3cnc4ncnn4c3ccn2n1.
What is the InChIKey of 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene?
The InChIKey is LTXCMOOZECDDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6/c1-3-13-15-4-2-9-7(8(1)15)5-11-10-12-6-14-16(9)10/h1-6H.
What are the key properties of 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene?
2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene has a molecular weight of 210.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7,13,14-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,7,10,12,15-heptaene is sourced from PubChem (CID 17228800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).