7,8-diazabicyclo[4.2.0]octa-2,4-diene

C6H8N2 — CID 145284196

IUPAC7,8-diazabicyclo[4.2.0]octa-2,4-diene
SMILESC1=CC2NNC2C=C1
InChIInChI=1S/C6H8N2/c1-2-4-6-5(3-1)7-8-6/h1-8H
InChIKeyUNZJNEOBUQUMEB-UHFFFAOYSA-N
MW108.14 g/mol
LogP-0.04
Rot. Bonds

About 7,8-diazabicyclo[4.2.0]octa-2,4-diene

7,8-diazabicyclo[4.2.0]octa-2,4-diene (PubChem CID 145284196) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 7,8-diazabicyclo[4.2.0]octa-2,4-diene.

Molecular Properties

Compound Name7,8-diazabicyclo[4.2.0]octa-2,4-diene
PubChem CID145284196
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name7,8-diazabicyclo[4.2.0]octa-2,4-diene
SMILESC1=CC2NNC2C=C1
InChIInChI=1S/C6H8N2/c1-2-4-6-5(3-1)7-8-6/h1-8H
InChIKeyUNZJNEOBUQUMEB-UHFFFAOYSA-N
XLogP-0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-diazabicyclo[4.2.0]octa-2,4-diene?
The IUPAC name of 7,8-diazabicyclo[4.2.0]octa-2,4-diene (CID 145284196) is 7,8-diazabicyclo[4.2.0]octa-2,4-diene.
What is the SMILES notation for 7,8-diazabicyclo[4.2.0]octa-2,4-diene?
The canonical SMILES for 7,8-diazabicyclo[4.2.0]octa-2,4-diene is C1=CC2NNC2C=C1.
What is the InChIKey of 7,8-diazabicyclo[4.2.0]octa-2,4-diene?
The InChIKey is UNZJNEOBUQUMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-4-6-5(3-1)7-8-6/h1-8H.
What are the key properties of 7,8-diazabicyclo[4.2.0]octa-2,4-diene?
7,8-diazabicyclo[4.2.0]octa-2,4-diene has a molecular weight of 108.14 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diazabicyclo[4.2.0]octa-2,4-diene is sourced from PubChem (CID 145284196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).