4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene

C9H10N2 — CID 102159372

IUPAC4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
SMILESc1ncc2c3c1CCN3CC2
InChIInChI=1S/C9H10N2/c1-3-11-4-2-8-6-10-5-7(1)9(8)11/h5-6H,1-4H2
InChIKeyLYHJXKJHZCIOSC-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.00
Rot. Bonds

About 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene

4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene (PubChem CID 102159372) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene.

Molecular Properties

Compound Name4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
PubChem CID102159372
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
SMILESc1ncc2c3c1CCN3CC2
InChIInChI=1S/C9H10N2/c1-3-11-4-2-8-6-10-5-7(1)9(8)11/h5-6H,1-4H2
InChIKeyLYHJXKJHZCIOSC-UHFFFAOYSA-N
XLogP1.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
The IUPAC name of 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene (CID 102159372) is 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene.
What is the SMILES notation for 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
The canonical SMILES for 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene is c1ncc2c3c1CCN3CC2.
What is the InChIKey of 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
The InChIKey is LYHJXKJHZCIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-11-4-2-8-6-10-5-7(1)9(8)11/h5-6H,1-4H2.
What are the key properties of 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene has a molecular weight of 146.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene is sourced from PubChem (CID 102159372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).