7,8-diazabicyclo[4.2.2]deca-2,4,7-triene

C8H10N2 — CID 71370922

IUPAC7,8-diazabicyclo[4.2.2]deca-2,4,7-triene
SMILESC1=CC2CCC(C=C1)N=N2
InChIInChI=1S/C8H10N2/c1-2-4-8-6-5-7(3-1)9-10-8/h1-4,7-8H,5-6H2
InChIKeyGAWFNIGFJDTWBM-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.10
Rot. Bonds

About 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene

7,8-diazabicyclo[4.2.2]deca-2,4,7-triene (PubChem CID 71370922) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene.

Molecular Properties

Compound Name7,8-diazabicyclo[4.2.2]deca-2,4,7-triene
PubChem CID71370922
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name7,8-diazabicyclo[4.2.2]deca-2,4,7-triene
SMILESC1=CC2CCC(C=C1)N=N2
InChIInChI=1S/C8H10N2/c1-2-4-8-6-5-7(3-1)9-10-8/h1-4,7-8H,5-6H2
InChIKeyGAWFNIGFJDTWBM-UHFFFAOYSA-N
XLogP2.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene?
The IUPAC name of 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene (CID 71370922) is 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene.
What is the SMILES notation for 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene?
The canonical SMILES for 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene is C1=CC2CCC(C=C1)N=N2.
What is the InChIKey of 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene?
The InChIKey is GAWFNIGFJDTWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-6-5-7(3-1)9-10-8/h1-4,7-8H,5-6H2.
What are the key properties of 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene?
7,8-diazabicyclo[4.2.2]deca-2,4,7-triene has a molecular weight of 134.18 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diazabicyclo[4.2.2]deca-2,4,7-triene is sourced from PubChem (CID 71370922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).