Chemical Components in the PDB

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HLL : Summary

Code

HLL

One-letter code

X

Molecule name

1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid

Formula

C8 H9 N5 O2

Formal charge

0

Molecular weight

207.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1nccn1CCn2ccnn2
SMILES OpenEye OEToolkits 2.0.7 c1cn(c(n1)C(=O)O)CCn2ccnn2
Canonical SMILES CACTVS 3.385 OC(=O)c1nccn1CCn2ccnn2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cn(c(n1)C(=O)O)CCn2ccnn2

IUPAC InChI

InChI=1S/C8H9N5O2/c14-8(15)7-9-1-3-12(7)5-6-13-4-2-10-11-13/h1-4H,5-6H2,(H,14,15)

IUPAC InChI key

BICABFBIPKZSEC-UHFFFAOYSA-N
HLL

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-19

Last modified at

2022-01-14

Status

Released

Obsoleted

Not Assigned