Chemical Components in the PDB

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0UL : Summary

Code

0UL

One-letter code

X

Molecule name

6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine
OpenEye OEToolkits 1.7.6 6-phenyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

Formula

C11 H9 N5

Formal charge

0

Molecular weight

211.223 Da

SMILES

TypeProgramVersionDescriptor
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

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

NKIXJKQWFAULJD-UHFFFAOYSA-N
0UL

wwPDB Information

Atom count

25 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-06-19

Last modified at

2013-04-05

Status

Released

Obsoleted

Not Assigned