6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile

C16H11N5 — CID 15500623

IUPAC6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(C#N)c2c3ccccc3n3c2n1CCC3
InChIInChI=1S/C16H11N5/c17-8-11-12(9-18)15(19)21-7-3-6-20-13-5-2-1-4-10(13)14(11)16(20)21/h1-2,4-5,19H,3,6-7H2/b19-15+
InChIKeyISFBWJFRTTXKHD-XDJHFCHBSA-N
MW273.30 g/mol
LogP2.22
Rot. Bonds

About 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile

6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile (PubChem CID 15500623) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile.

Molecular Properties

Compound Name6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile
PubChem CID15500623
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(C#N)c2c3ccccc3n3c2n1CCC3
InChIInChI=1S/C16H11N5/c17-8-11-12(9-18)15(19)21-7-3-6-20-13-5-2-1-4-10(13)14(11)16(20)21/h1-2,4-5,19H,3,6-7H2/b19-15+
InChIKeyISFBWJFRTTXKHD-XDJHFCHBSA-N
XLogP2.22
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile?
The IUPAC name of 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile (CID 15500623) is 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile.
What is the SMILES notation for 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile?
The canonical SMILES for 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile is [H]/N=c1\c(C#N)c(C#N)c2c3ccccc3n3c2n1CCC3.
What is the InChIKey of 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile?
The InChIKey is ISFBWJFRTTXKHD-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H11N5/c17-8-11-12(9-18)15(19)21-7-3-6-20-13-5-2-1-4-10(13)14(11)16(20)21/h1-2,4-5,19H,3,6-7H2/b19-15+.
What are the key properties of 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile?
6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile has a molecular weight of 273.30 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile is sourced from PubChem (CID 15500623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).