7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile

C14H9N3 — CID 172543753

IUPAC7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile
SMILESN#Cc1ccccc2c3c(N)ccncc-3c1-2
InChIInChI=1S/C14H9N3/c15-7-9-3-1-2-4-10-13(9)11-8-17-6-5-12(16)14(10)11/h1-6,8H,16H2
InChIKeyITZASFPNAHDNCY-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.75
Rot. Bonds

About 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile

7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile (PubChem CID 172543753) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile.

Molecular Properties

Compound Name7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile
PubChem CID172543753
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile
SMILESN#Cc1ccccc2c3c(N)ccncc-3c1-2
InChIInChI=1S/C14H9N3/c15-7-9-3-1-2-4-10-13(9)11-8-17-6-5-12(16)14(10)11/h1-6,8H,16H2
InChIKeyITZASFPNAHDNCY-UHFFFAOYSA-N
XLogP2.75
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile?
The IUPAC name of 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile (CID 172543753) is 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile.
What is the SMILES notation for 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile?
The canonical SMILES for 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile is N#Cc1ccccc2c3c(N)ccncc-3c1-2.
What is the InChIKey of 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile?
The InChIKey is ITZASFPNAHDNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-7-9-3-1-2-4-10-13(9)11-8-17-6-5-12(16)14(10)11/h1-6,8H,16H2.
What are the key properties of 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile?
7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile is sourced from PubChem (CID 172543753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).