2,6-diazabicyclo[5.1.0]octa-2,4-diene

C6H8N2 — CID 55287586

IUPAC2,6-diazabicyclo[5.1.0]octa-2,4-diene
SMILESC1=CNC2CC2N=C1
InChIInChI=1S/C6H8N2/c1-2-7-5-4-6(5)8-3-1/h1-3,5-7H,4H2
InChIKeyBWFKEZVZUXYPKS-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.31
Rot. Bonds

About 2,6-diazabicyclo[5.1.0]octa-2,4-diene

2,6-diazabicyclo[5.1.0]octa-2,4-diene (PubChem CID 55287586) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2,6-diazabicyclo[5.1.0]octa-2,4-diene.

Molecular Properties

Compound Name2,6-diazabicyclo[5.1.0]octa-2,4-diene
PubChem CID55287586
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2,6-diazabicyclo[5.1.0]octa-2,4-diene
SMILESC1=CNC2CC2N=C1
InChIInChI=1S/C6H8N2/c1-2-7-5-4-6(5)8-3-1/h1-3,5-7H,4H2
InChIKeyBWFKEZVZUXYPKS-UHFFFAOYSA-N
XLogP0.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-diazabicyclo[5.1.0]octa-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-diazabicyclo[5.1.0]octa-2,4-diene?
The IUPAC name of 2,6-diazabicyclo[5.1.0]octa-2,4-diene (CID 55287586) is 2,6-diazabicyclo[5.1.0]octa-2,4-diene.
What is the SMILES notation for 2,6-diazabicyclo[5.1.0]octa-2,4-diene?
The canonical SMILES for 2,6-diazabicyclo[5.1.0]octa-2,4-diene is C1=CNC2CC2N=C1.
What is the InChIKey of 2,6-diazabicyclo[5.1.0]octa-2,4-diene?
The InChIKey is BWFKEZVZUXYPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-7-5-4-6(5)8-3-1/h1-3,5-7H,4H2.
What are the key properties of 2,6-diazabicyclo[5.1.0]octa-2,4-diene?
2,6-diazabicyclo[5.1.0]octa-2,4-diene has a molecular weight of 108.14 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazabicyclo[5.1.0]octa-2,4-diene is sourced from PubChem (CID 55287586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).