Chemical Components in the PDB

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V2Z : Summary

Code

V2Z

One-letter code

X

Molecule name

3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 3-propyl-5-pyridin-3-yl-1H-pyrazin-2-one

Formula

C12 H13 N3 O

Formal charge

0

Molecular weight

215.251 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCC1=NC(=CNC1=O)c2cccnc2
SMILES OpenEye OEToolkits 1.7.6 CCCC1=NC(=CNC1=O)c2cccnc2
Canonical SMILES CACTVS 3.385 CCCC1=NC(=CNC1=O)c2cccnc2
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCC1=NC(=CNC1=O)c2cccnc2

IUPAC InChI

InChI=1S/C12H13N3O/c1-2-4-10-12(16)14-8-11(15-10)9-5-3-6-13-7-9/h3,5-8H,2,4H2,1H3,(H,14,16)

IUPAC InChI key

ZKLHKFWUNCAKLE-UHFFFAOYSA-N
V2Z

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-02

Last modified at

2015-05-08

Status

Released

Obsoleted

Not Assigned