5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile

C15H8N4 — CID 172544272

IUPAC5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile
SMILESN#Cc1cc2c3ccccc(C#N)c-3c-2cnc1N
InChIInChI=1S/C15H8N4/c16-6-9-3-1-2-4-11-12-5-10(7-17)15(18)19-8-13(12)14(9)11/h1-5,8H,(H2,18,19)
InChIKeyJYCYXNFDJXIDQK-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.62
Rot. Bonds

About 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile

5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile (PubChem CID 172544272) has the molecular formula C15H8N4 and a molecular weight of 244.26 g/mol. Its IUPAC name is 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile.

Molecular Properties

Compound Name5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile
PubChem CID172544272
Molecular FormulaC15H8N4
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC Name5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile
SMILESN#Cc1cc2c3ccccc(C#N)c-3c-2cnc1N
InChIInChI=1S/C15H8N4/c16-6-9-3-1-2-4-11-12-5-10(7-17)15(18)19-8-13(12)14(9)11/h1-5,8H,(H2,18,19)
InChIKeyJYCYXNFDJXIDQK-UHFFFAOYSA-N
XLogP2.62
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile
CID 172543753
3,5-Diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile
CID 172543754
5,7-Diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile
CID 172543967
5,7-Diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile
CID 172544194

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile?
The IUPAC name of 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile (CID 172544272) is 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile.
What is the SMILES notation for 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile?
The canonical SMILES for 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile is N#Cc1cc2c3ccccc(C#N)c-3c-2cnc1N.
What is the InChIKey of 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile?
The InChIKey is JYCYXNFDJXIDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4/c16-6-9-3-1-2-4-11-12-5-10(7-17)15(18)19-8-13(12)14(9)11/h1-5,8H,(H2,18,19).
What are the key properties of 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile?
5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile has a molecular weight of 244.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile is sourced from PubChem (CID 172544272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).