2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene

C11H16N2 — CID 143140494

IUPAC2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene
SMILESC1=CCC=C2NCCCCNC2=C1
InChIInChI=1S/C11H16N2/c1-2-6-10-11(7-3-1)13-9-5-4-8-12-10/h1-2,6-7,12-13H,3-5,8-9H2
InChIKeyMMEHJNVBEJLSIU-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.69
Rot. Bonds

About 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene

2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene (PubChem CID 143140494) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene.

Molecular Properties

Compound Name2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene
PubChem CID143140494
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene
SMILESC1=CCC=C2NCCCCNC2=C1
InChIInChI=1S/C11H16N2/c1-2-6-10-11(7-3-1)13-9-5-4-8-12-10/h1-2,6-7,12-13H,3-5,8-9H2
InChIKeyMMEHJNVBEJLSIU-UHFFFAOYSA-N
XLogP1.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene?
The IUPAC name of 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene (CID 143140494) is 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene.
What is the SMILES notation for 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene?
The canonical SMILES for 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene is C1=CCC=C2NCCCCNC2=C1.
What is the InChIKey of 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene?
The InChIKey is MMEHJNVBEJLSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-6-10-11(7-3-1)13-9-5-4-8-12-10/h1-2,6-7,12-13H,3-5,8-9H2.
What are the key properties of 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene?
2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene has a molecular weight of 176.26 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene is sourced from PubChem (CID 143140494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).