4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine

C13H11N3 — CID 172544215

IUPAC4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine
SMILESNc1ccnc(N)c2c3cccccc-3c1-2
InChIInChI=1S/C13H11N3/c14-10-6-7-16-13(15)12-9-5-3-1-2-4-8(9)11(10)12/h1-7H,14H2,(H2,15,16)
InChIKeyJJYYCUANDUQJED-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.46
Rot. Bonds

About 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine

4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine (PubChem CID 172544215) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine.

Molecular Properties

Compound Name4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine
PubChem CID172544215
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine
SMILESNc1ccnc(N)c2c3cccccc-3c1-2
InChIInChI=1S/C13H11N3/c14-10-6-7-16-13(15)12-9-5-3-1-2-4-8(9)11(10)12/h1-7H,14H2,(H2,15,16)
InChIKeyJJYYCUANDUQJED-UHFFFAOYSA-N
XLogP2.46
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine?
The IUPAC name of 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine (CID 172544215) is 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine.
What is the SMILES notation for 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine?
The canonical SMILES for 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine is Nc1ccnc(N)c2c3cccccc-3c1-2.
What is the InChIKey of 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine?
The InChIKey is JJYYCUANDUQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-10-6-7-16-13(15)12-9-5-3-1-2-4-8(9)11(10)12/h1-7H,14H2,(H2,15,16).
What are the key properties of 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine?
4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine has a molecular weight of 209.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine is sourced from PubChem (CID 172544215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).