6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile

C20H16N6 — CID 135858187

IUPAC6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile
SMILESCN(C)CC/N=c1\ccc2c3[nH]c(C#N)c(C#N)nc3c3cccc1c32
InChIInChI=1S/C20H16N6/c1-26(2)9-8-23-15-7-6-14-18-12(15)4-3-5-13(18)19-20(14)25-17(11-22)16(10-21)24-19/h3-7,25H,8-9H2,1-2H3/b23-15+
InChIKeySQWICJGVYYXTPE-HZHRSRAPSA-N
MW340.39 g/mol
LogP2.51
Rot. Bonds3

About 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile

6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile (PubChem CID 135858187) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile
PubChem CID135858187
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile
SMILESCN(C)CC/N=c1\ccc2c3[nH]c(C#N)c(C#N)nc3c3cccc1c32
InChIInChI=1S/C20H16N6/c1-26(2)9-8-23-15-7-6-14-18-12(15)4-3-5-13(18)19-20(14)25-17(11-22)16(10-21)24-19/h3-7,25H,8-9H2,1-2H3/b23-15+
InChIKeySQWICJGVYYXTPE-HZHRSRAPSA-N
XLogP2.51
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile?
The IUPAC name of 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile (CID 135858187) is 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile.
What is the SMILES notation for 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile?
The canonical SMILES for 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile is CN(C)CC/N=c1\ccc2c3[nH]c(C#N)c(C#N)nc3c3cccc1c32.
What is the InChIKey of 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile?
The InChIKey is SQWICJGVYYXTPE-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H16N6/c1-26(2)9-8-23-15-7-6-14-18-12(15)4-3-5-13(18)19-20(14)25-17(11-22)16(10-21)24-19/h3-7,25H,8-9H2,1-2H3/b23-15+.
What are the key properties of 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile?
6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile has a molecular weight of 340.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylimino]-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),7,9,12,14-heptaene-12,13-dicarbonitrile is sourced from PubChem (CID 135858187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).