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

C15H9N5 — CID 172544194

IUPAC5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile
SMILESN#Cc1ccccc2c3c(N)c(C#N)c(N)ncc-3c1-2
InChIInChI=1S/C15H9N5/c16-5-8-3-1-2-4-9-12(8)11-7-20-15(19)10(6-17)14(18)13(9)11/h1-4,7H,18H2,(H2,19,20)
InChIKeySAMWTMDIMDIYRH-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.20
Rot. Bonds

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

5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile (PubChem CID 172544194) has the molecular formula C15H9N5 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile.

Molecular Properties

Compound Name5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile
PubChem CID172544194
Molecular FormulaC15H9N5
Molecular Weight259.27 g/mol
Exact Mass259.09
IUPAC Name5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile
SMILESN#Cc1ccccc2c3c(N)c(C#N)c(N)ncc-3c1-2
InChIInChI=1S/C15H9N5/c16-5-8-3-1-2-4-9-12(8)11-7-20-15(19)10(6-17)14(18)13(9)11/h1-4,7H,18H2,(H2,19,20)
InChIKeySAMWTMDIMDIYRH-UHFFFAOYSA-N
XLogP2.20
TPSA112.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile?
The IUPAC name of 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile (CID 172544194) is 5,7-diamino-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 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile?
The canonical SMILES for 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile is N#Cc1ccccc2c3c(N)c(C#N)c(N)ncc-3c1-2.
What is the InChIKey of 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile?
The InChIKey is SAMWTMDIMDIYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5/c16-5-8-3-1-2-4-9-12(8)11-7-20-15(19)10(6-17)14(18)13(9)11/h1-4,7H,18H2,(H2,19,20).
What are the key properties of 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile?
5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile has a molecular weight of 259.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile is sourced from PubChem (CID 172544194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).