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DKG : Summary

Code

DKG

One-letter code

X

Molecule name

4-methylpyridazine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methylpyridazine
OpenEye OEToolkits 1.9.2 4-methylpyridazine

Formula

C5 H6 N2

Formal charge

0

Molecular weight

94.115 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cc1cnncc1
SMILES CACTVS 3.385 Cc1ccnnc1
SMILES OpenEye OEToolkits 1.9.2 Cc1ccnnc1
Canonical SMILES CACTVS 3.385 Cc1ccnnc1
Canonical SMILES OpenEye OEToolkits 1.9.2 Cc1ccnnc1

IUPAC InChI

InChI=1S/C5H6N2/c1-5-2-3-6-7-4-5/h2-4H,1H3

IUPAC InChI key

AIKUBOPKWKZULG-UHFFFAOYSA-N
DKG

wwPDB Information

Atom count

13 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-17

Last modified at

2015-05-08

Status

Released

Obsoleted

Not Assigned