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6E3 : Summary

Code

6E3

One-letter code

X

Molecule name

2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
OpenEye OEToolkits 2.0.4 1,2,6,7-tetramethylpyrazolo[1,2-a]pyrazole-3,5-dione

Formula

C10 H12 N2 O2

Formal charge

0

Molecular weight

192.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C
SMILES CACTVS 3.385 CC1=C(C)C(=O)N2N1C(=C(C)C2=O)C
SMILES OpenEye OEToolkits 2.0.4 CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C
Canonical SMILES CACTVS 3.385 CC1=C(C)C(=O)N2N1C(=C(C)C2=O)C
Canonical SMILES OpenEye OEToolkits 2.0.4 CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C

IUPAC InChI

InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3

IUPAC InChI key

VWKNUUOGGLNRNZ-UHFFFAOYSA-N
6E3

wwPDB Information

Atom count

26 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-03-19

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned