1,5-diazabicyclo[3.2.2]nona-2,6-diene

C7H10N2 — CID 20653383

IUPAC1,5-diazabicyclo[3.2.2]nona-2,6-diene
SMILESC1=CN2C=CN(C1)CC2
InChIInChI=1S/C7H10N2/c1-2-8-4-6-9(3-1)7-5-8/h1-2,4,6H,3,5,7H2
InChIKeyTUXZAOALVWEBDN-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.60
Rot. Bonds

About 1,5-diazabicyclo[3.2.2]nona-2,6-diene

1,5-diazabicyclo[3.2.2]nona-2,6-diene (PubChem CID 20653383) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,5-diazabicyclo[3.2.2]nona-2,6-diene.

Molecular Properties

Compound Name1,5-diazabicyclo[3.2.2]nona-2,6-diene
PubChem CID20653383
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1,5-diazabicyclo[3.2.2]nona-2,6-diene
SMILESC1=CN2C=CN(C1)CC2
InChIInChI=1S/C7H10N2/c1-2-8-4-6-9(3-1)7-5-8/h1-2,4,6H,3,5,7H2
InChIKeyTUXZAOALVWEBDN-UHFFFAOYSA-N
XLogP0.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-diazabicyclo[3.2.2]nona-2,6-diene?
The IUPAC name of 1,5-diazabicyclo[3.2.2]nona-2,6-diene (CID 20653383) is 1,5-diazabicyclo[3.2.2]nona-2,6-diene.
What is the SMILES notation for 1,5-diazabicyclo[3.2.2]nona-2,6-diene?
The canonical SMILES for 1,5-diazabicyclo[3.2.2]nona-2,6-diene is C1=CN2C=CN(C1)CC2.
What is the InChIKey of 1,5-diazabicyclo[3.2.2]nona-2,6-diene?
The InChIKey is TUXZAOALVWEBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-8-4-6-9(3-1)7-5-8/h1-2,4,6H,3,5,7H2.
What are the key properties of 1,5-diazabicyclo[3.2.2]nona-2,6-diene?
1,5-diazabicyclo[3.2.2]nona-2,6-diene has a molecular weight of 122.17 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazabicyclo[3.2.2]nona-2,6-diene is sourced from PubChem (CID 20653383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).