11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile

C13H4N8 — CID 172544513

IUPAC11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile
SMILESN#Cc1cc(C#N)c2nc3ncnc3c(C#N)c2nc1N
InChIInChI=1S/C13H4N8/c14-2-6-1-7(3-15)12(17)20-10-8(4-16)11-13(19-5-18-11)21-9(6)10/h1,5H,(H2,17,20)
InChIKeyQBQTUQISKSTJOX-UHFFFAOYSA-N
MW272.23 g/mol
LogP0.77
Rot. Bonds

About 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile

11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile (PubChem CID 172544513) has the molecular formula C13H4N8 and a molecular weight of 272.23 g/mol. Its IUPAC name is 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile.

Molecular Properties

Compound Name11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile
PubChem CID172544513
Molecular FormulaC13H4N8
Molecular Weight272.23 g/mol
Exact Mass272.06
IUPAC Name11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile
SMILESN#Cc1cc(C#N)c2nc3ncnc3c(C#N)c2nc1N
InChIInChI=1S/C13H4N8/c14-2-6-1-7(3-15)12(17)20-10-8(4-16)11-13(19-5-18-11)21-9(6)10/h1,5H,(H2,17,20)
InChIKeyQBQTUQISKSTJOX-UHFFFAOYSA-N
XLogP0.77
TPSA148.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile?
The IUPAC name of 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile (CID 172544513) is 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile.
What is the SMILES notation for 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile?
The canonical SMILES for 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile is N#Cc1cc(C#N)c2nc3ncnc3c(C#N)c2nc1N.
What is the InChIKey of 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile?
The InChIKey is QBQTUQISKSTJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4N8/c14-2-6-1-7(3-15)12(17)20-10-8(4-16)11-13(19-5-18-11)21-9(6)10/h1,5H,(H2,17,20).
What are the key properties of 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile?
11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile has a molecular weight of 272.23 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile is sourced from PubChem (CID 172544513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).