![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
0UL : Summary
Code ![](/pdbe/static/images/help.png)
|
0UL
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C11 H9 N5
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
211.223 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
n1c(cn2nc(nc2c1)N)c3ccccc3 |
SMILES
|
CACTVS |
3.370 |
Nc1nn2cc(ncc2n1)c3ccccc3 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)c2cn3c(cn2)nc(n3)N |
Canonical SMILES
|
CACTVS |
3.370 |
Nc1nn2cc(ncc2n1)c3ccccc3 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)c2cn3c(cn2)nc(n3)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NKIXJKQWFAULJD-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
25 (16 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2012-06-19
|
Last modified at ![](/pdbe/static/images/help.png)
|
2013-04-05
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|