2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene

C10H10N2 — CID 126627881

IUPAC2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene
SMILESC1=CCC=C2N=CCC=NC2=C1
InChIInChI=1S/C10H10N2/c1-2-5-9-10(6-3-1)12-8-4-7-11-9/h1-2,5-8H,3-4H2
InChIKeyHZTWUUHAUBGQQK-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.26
Rot. Bonds

About 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene

2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene (PubChem CID 126627881) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene.

Molecular Properties

Compound Name2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene
PubChem CID126627881
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene
SMILESC1=CCC=C2N=CCC=NC2=C1
InChIInChI=1S/C10H10N2/c1-2-5-9-10(6-3-1)12-8-4-7-11-9/h1-2,5-8H,3-4H2
InChIKeyHZTWUUHAUBGQQK-UHFFFAOYSA-N
XLogP2.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene?
The IUPAC name of 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene (CID 126627881) is 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene.
What is the SMILES notation for 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene?
The canonical SMILES for 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene is C1=CCC=C2N=CCC=NC2=C1.
What is the InChIKey of 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene?
The InChIKey is HZTWUUHAUBGQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-5-9-10(6-3-1)12-8-4-7-11-9/h1-2,5-8H,3-4H2.
What are the key properties of 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene?
2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene has a molecular weight of 158.20 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene is sourced from PubChem (CID 126627881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).