Chemical Components in the PDB

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YG5 : Summary

Code

YG5

One-letter code

X

Molecule name

2-(1H-indazol-1-yl)-N,N-dimethylacetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(1H-indazol-1-yl)-N,N-dimethylacetamide
OpenEye OEToolkits 2.0.7 2-indazol-1-yl-~{N},~{N}-dimethyl-ethanamide

Formula

C11 H13 N3 O

Formal charge

0

Molecular weight

203.24 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN(C)C(=O)Cn1ncc2ccccc21
SMILES CACTVS 3.385 CN(C)C(=O)Cn1ncc2ccccc12
SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)Cn1c2ccccc2cn1
Canonical SMILES CACTVS 3.385 CN(C)C(=O)Cn1ncc2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)Cn1c2ccccc2cn1

IUPAC InChI

InChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3

IUPAC InChI key

AOLISVCNSODKGB-UHFFFAOYSA-N
YG5

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-01-27

Last modified at

2023-02-10

Status

Released

Obsoleted

Not Assigned