4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene

C11H14N2 — CID 59518913

IUPAC4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
SMILESc1cc2c(cn1)C1CCCC2NC1
InChIInChI=1S/C11H14N2/c1-2-8-6-13-11(3-1)9-4-5-12-7-10(8)9/h4-5,7-8,11,13H,1-3,6H2
InChIKeyPOJJVIONLYILJG-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.99
Rot. Bonds

About 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene

4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene (PubChem CID 59518913) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
PubChem CID59518913
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
SMILESc1cc2c(cn1)C1CCCC2NC1
InChIInChI=1S/C11H14N2/c1-2-8-6-13-11(3-1)9-4-5-12-7-10(8)9/h4-5,7-8,11,13H,1-3,6H2
InChIKeyPOJJVIONLYILJG-UHFFFAOYSA-N
XLogP1.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene (CID 59518913) is 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene is c1cc2c(cn1)C1CCCC2NC1.
What is the InChIKey of 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene?
The InChIKey is POJJVIONLYILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-8-6-13-11(3-1)9-4-5-12-7-10(8)9/h4-5,7-8,11,13H,1-3,6H2.
What are the key properties of 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene?
4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene has a molecular weight of 174.25 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 59518913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).