2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene

C10H14N2 — CID 91429507

IUPAC2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
SMILESC1=CCC2=C(C=C1)CNCCN2
InChIInChI=1S/C10H14N2/c1-2-4-9-8-11-6-7-12-10(9)5-3-1/h1-4,11-12H,5-8H2
InChIKeyBZXXOYFRHYXRQJ-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.95
Rot. Bonds

About 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene

2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene (PubChem CID 91429507) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene.

Molecular Properties

Compound Name2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
PubChem CID91429507
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
SMILESC1=CCC2=C(C=C1)CNCCN2
InChIInChI=1S/C10H14N2/c1-2-4-9-8-11-6-7-12-10(9)5-3-1/h1-4,11-12H,5-8H2
InChIKeyBZXXOYFRHYXRQJ-UHFFFAOYSA-N
XLogP0.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene?
The IUPAC name of 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene (CID 91429507) is 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene.
What is the SMILES notation for 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene?
The canonical SMILES for 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene is C1=CCC2=C(C=C1)CNCCN2.
What is the InChIKey of 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene?
The InChIKey is BZXXOYFRHYXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-4-9-8-11-6-7-12-10(9)5-3-1/h1-4,11-12H,5-8H2.
What are the key properties of 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene?
2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene has a molecular weight of 162.24 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene is sourced from PubChem (CID 91429507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).