7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene

C10H6N2 — CID 141050593

IUPAC7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene
SMILESC1=Cc2c3c(nnc2=C1)=CC=C3
InChIInChI=1S/C10H6N2/c1-3-7-8-4-2-6-10(8)12-11-9(7)5-1/h1-6H
InChIKeyRJKWPKRHAQALNC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.09
Rot. Bonds

About 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene

7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene (PubChem CID 141050593) has the molecular formula C10H6N2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene
PubChem CID141050593
Molecular FormulaC10H6N2
Molecular Weight154.17 g/mol
Exact Mass154.05
IUPAC Name7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene
SMILESC1=Cc2c3c(nnc2=C1)=CC=C3
InChIInChI=1S/C10H6N2/c1-3-7-8-4-2-6-10(8)12-11-9(7)5-1/h1-6H
InChIKeyRJKWPKRHAQALNC-UHFFFAOYSA-N
XLogP0.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene?
The IUPAC name of 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene (CID 141050593) is 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene is C1=Cc2c3c(nnc2=C1)=CC=C3.
What is the InChIKey of 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene?
The InChIKey is RJKWPKRHAQALNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2/c1-3-7-8-4-2-6-10(8)12-11-9(7)5-1/h1-6H.
What are the key properties of 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene?
7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene has a molecular weight of 154.17 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 141050593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).