5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene

C14H16N2 — CID 20505355

IUPAC5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
SMILESC1=CC2=C(CN1)CC1CNC3=CCCC2=C31
InChIInChI=1S/C14H16N2/c1-2-12-11-4-5-15-7-9(11)6-10-8-16-13(3-1)14(10)12/h3-5,10,15-16H,1-2,6-8H2
InChIKeyRDYZILRYAHMVPU-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.00
Rot. Bonds

About 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene

5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene (PubChem CID 20505355) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene.

Molecular Properties

Compound Name5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
PubChem CID20505355
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
SMILESC1=CC2=C(CN1)CC1CNC3=CCCC2=C31
InChIInChI=1S/C14H16N2/c1-2-12-11-4-5-15-7-9(11)6-10-8-16-13(3-1)14(10)12/h3-5,10,15-16H,1-2,6-8H2
InChIKeyRDYZILRYAHMVPU-UHFFFAOYSA-N
XLogP2.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
The IUPAC name of 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene (CID 20505355) is 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene.
What is the SMILES notation for 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
The canonical SMILES for 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene is C1=CC2=C(CN1)CC1CNC3=CCCC2=C31.
What is the InChIKey of 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
The InChIKey is RDYZILRYAHMVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-12-11-4-5-15-7-9(11)6-10-8-16-13(3-1)14(10)12/h3-5,10,15-16H,1-2,6-8H2.
What are the key properties of 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene has a molecular weight of 212.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene is sourced from PubChem (CID 20505355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).