4,7-diazatricyclo[5.2.0.01,4]nonane

C7H12N2 — CID 20656018

IUPAC4,7-diazatricyclo[5.2.0.01,4]nonane
SMILESC1CN2CCC23CCN13
InChIInChI=1S/C7H12N2/c1-3-8-5-6-9-4-2-7(1,8)9/h1-6H2
InChIKeyOUHNOUROROUQOY-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.11
Rot. Bonds

About 4,7-diazatricyclo[5.2.0.01,4]nonane

4,7-diazatricyclo[5.2.0.01,4]nonane (PubChem CID 20656018) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4,7-diazatricyclo[5.2.0.01,4]nonane.

Molecular Properties

Compound Name4,7-diazatricyclo[5.2.0.01,4]nonane
PubChem CID20656018
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4,7-diazatricyclo[5.2.0.01,4]nonane
SMILESC1CN2CCC23CCN13
InChIInChI=1S/C7H12N2/c1-3-8-5-6-9-4-2-7(1,8)9/h1-6H2
InChIKeyOUHNOUROROUQOY-UHFFFAOYSA-N
XLogP0.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,7,9-Tetrazatetracyclo[7.2.1.03,11.07,10]dodecane
CID 20614907
(3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane
CID 126657200
3-Methyl-4,7-diazatricyclo[5.2.0.01,4]nonane
CID 126657201
4,7-Diazoniatricyclo[5.2.0.01,4]nonane
CID 141911184
7-Aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide
CID 154551315

Frequently Asked Questions

What is the IUPAC name of 4,7-diazatricyclo[5.2.0.01,4]nonane?
The IUPAC name of 4,7-diazatricyclo[5.2.0.01,4]nonane (CID 20656018) is 4,7-diazatricyclo[5.2.0.01,4]nonane.
What is the SMILES notation for 4,7-diazatricyclo[5.2.0.01,4]nonane?
The canonical SMILES for 4,7-diazatricyclo[5.2.0.01,4]nonane is C1CN2CCC23CCN13.
What is the InChIKey of 4,7-diazatricyclo[5.2.0.01,4]nonane?
The InChIKey is OUHNOUROROUQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-8-5-6-9-4-2-7(1,8)9/h1-6H2.
What are the key properties of 4,7-diazatricyclo[5.2.0.01,4]nonane?
4,7-diazatricyclo[5.2.0.01,4]nonane has a molecular weight of 124.19 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diazatricyclo[5.2.0.01,4]nonane is sourced from PubChem (CID 20656018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).