3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile

C15H9N5 — CID 172543754

IUPAC3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile
SMILESN#Cc1cc2c3c(C#N)ccccc-3c-2c(N)nc1N
InChIInChI=1S/C15H9N5/c16-6-8-3-1-2-4-10-12(8)11-5-9(7-17)14(18)20-15(19)13(10)11/h1-5H,(H4,18,19,20)
InChIKeyICWDDBUJPHMUIK-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.20
Rot. Bonds

About 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile

3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile (PubChem CID 172543754) has the molecular formula C15H9N5 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile.

Molecular Properties

Compound Name3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile
PubChem CID172543754
Molecular FormulaC15H9N5
Molecular Weight259.27 g/mol
Exact Mass259.09
IUPAC Name3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile
SMILESN#Cc1cc2c3c(C#N)ccccc-3c-2c(N)nc1N
InChIInChI=1S/C15H9N5/c16-6-8-3-1-2-4-10-12(8)11-5-9(7-17)14(18)20-15(19)13(10)11/h1-5H,(H4,18,19,20)
InChIKeyICWDDBUJPHMUIK-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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Related Compounds

3,5-Diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile
CID 172543718
5,7-Diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile
CID 172544194
4,6-Diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine
CID 172544238
5-Amino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-6,14-dicarbonitrile
CID 172544272

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile?
The IUPAC name of 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) is 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile.
What is the SMILES notation for 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile?
The canonical SMILES for 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile is N#Cc1cc2c3c(C#N)ccccc-3c-2c(N)nc1N.
What is the InChIKey of 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile?
The InChIKey is ICWDDBUJPHMUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5/c16-6-8-3-1-2-4-10-12(8)11-5-9(7-17)14(18)20-15(19)13(10)11/h1-5H,(H4,18,19,20).
What are the key properties of 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile?
3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-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 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile is sourced from PubChem (CID 172543754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).