EM7

3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE

Created:2012-03-22
Last modified:  2014-09-05

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count17
2D diagram of EM7

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)3-azanyl-N-methyl-6-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide
FormulaC13 H12 N8 O
Molecular Weight296.287
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC)c3nc(c1cccc(c1)c2nnnn2)cnc3N
SMILESCACTVS3.385CNC(=O)c1nc(cnc1N)c2cccc(c2)c3[nH]nnn3
SMILESOpenEye OEToolkits1.9.2CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N
Canonical SMILESCACTVS3.385 CNC(=O)c1nc(cnc1N)c2cccc(c2)c3[nH]nnn3
Canonical SMILESOpenEye OEToolkits1.9.2 CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N
InChIInChI1.03 InChI=1S/C13H12N8O/c1-15-13(22)10-11(14)16-6-9(17-10)7-3-2-4-8(5-7)12-18-20-21-19-12/h2-6H,1H3,(H2,14,16)(H,15,22)(H,18,19,20,21)
InChIKeyInChI1.03 PLUDSXLHMVRUKP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2152125
PubChem 10357196
ChEMBL CHEMBL2152125