8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene

C14H14N2 — CID 70139204

IUPAC8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene
SMILESC1=Cc2ccccc2C2=C(CCCC2)/N=N\1
InChIInChI=1S/C14H14N2/c1-2-6-12-11(5-1)9-10-15-16-14-8-4-3-7-13(12)14/h1-2,5-6,9-10H,3-4,7-8H2/b10-9?,11-9?,13-12-,15-10?,16-14-,16-15-
InChIKeyPTPAIYCSLAFYRV-CYRFYMJWSA-N
MW210.28 g/mol
LogP4.41
Rot. Bonds

About 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene

8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene (PubChem CID 70139204) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene.

Molecular Properties

Compound Name8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene
PubChem CID70139204
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene
SMILESC1=Cc2ccccc2C2=C(CCCC2)/N=N\1
InChIInChI=1S/C14H14N2/c1-2-6-12-11(5-1)9-10-15-16-14-8-4-3-7-13(12)14/h1-2,5-6,9-10H,3-4,7-8H2/b10-9?,11-9?,13-12-,15-10?,16-14-,16-15-
InChIKeyPTPAIYCSLAFYRV-CYRFYMJWSA-N
XLogP4.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene?
The IUPAC name of 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene (CID 70139204) is 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene.
What is the SMILES notation for 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene?
The canonical SMILES for 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene is C1=Cc2ccccc2C2=C(CCCC2)/N=N\1.
What is the InChIKey of 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene?
The InChIKey is PTPAIYCSLAFYRV-CYRFYMJWSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-6-12-11(5-1)9-10-15-16-14-8-4-3-7-13(12)14/h1-2,5-6,9-10H,3-4,7-8H2/b10-9?,11-9?,13-12-,15-10?,16-14-,16-15-.
What are the key properties of 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene?
8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene has a molecular weight of 210.28 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene is sourced from PubChem (CID 70139204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).