2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene

C10H6N6 — CID 1091846

IUPAC2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
SMILESc1ccc2c(c1)n1cnnc1c1nncn21
InChIInChI=1S/C10H6N6/c1-2-4-8-7(3-1)15-5-11-13-9(15)10-14-12-6-16(8)10/h1-6H
InChIKeyYSERBOLOJGUAAG-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.93
Rot. Bonds

About 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene

2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene (PubChem CID 1091846) has the molecular formula C10H6N6 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene.

Molecular Properties

Compound Name2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
PubChem CID1091846
Molecular FormulaC10H6N6
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
SMILESc1ccc2c(c1)n1cnnc1c1nncn21
InChIInChI=1S/C10H6N6/c1-2-4-8-7(3-1)15-5-11-13-9(15)10-14-12-6-16(8)10/h1-6H
InChIKeyYSERBOLOJGUAAG-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 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The IUPAC name of 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene (CID 1091846) is 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene.
What is the SMILES notation for 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The canonical SMILES for 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene is c1ccc2c(c1)n1cnnc1c1nncn21.
What is the InChIKey of 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The InChIKey is YSERBOLOJGUAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6/c1-2-4-8-7(3-1)15-5-11-13-9(15)10-14-12-6-16(8)10/h1-6H.
What are the key properties of 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-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 2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene is sourced from PubChem (CID 1091846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).