8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene

C8H8N2 — CID 142072553

IUPAC8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene
SMILESC1=CC2CC23N=CNC3=C1
InChIInChI=1S/C8H8N2/c1-2-6-4-8(6)7(3-1)9-5-10-8/h1-3,5-6H,4H2,(H,9,10)
InChIKeyHFKYZJQIYFBMEL-UHFFFAOYSA-N
MW132.17 g/mol
LogP0.83
Rot. Bonds

About 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene

8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene (PubChem CID 142072553) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene.

Molecular Properties

Compound Name8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene
PubChem CID142072553
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene
SMILESC1=CC2CC23N=CNC3=C1
InChIInChI=1S/C8H8N2/c1-2-6-4-8(6)7(3-1)9-5-10-8/h1-3,5-6H,4H2,(H,9,10)
InChIKeyHFKYZJQIYFBMEL-UHFFFAOYSA-N
XLogP0.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene?
The IUPAC name of 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene (CID 142072553) is 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene.
What is the SMILES notation for 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene?
The canonical SMILES for 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene is C1=CC2CC23N=CNC3=C1.
What is the InChIKey of 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene?
The InChIKey is HFKYZJQIYFBMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-6-4-8(6)7(3-1)9-5-10-8/h1-3,5-6H,4H2,(H,9,10).
What are the key properties of 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene?
8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene has a molecular weight of 132.17 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene is sourced from PubChem (CID 142072553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).