Chemical Components in the PDB

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RZK : Summary

Code

RZK

One-letter code

X

Molecule name

2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine

Formula

C10 H13 N5 O

Formal charge

0

Molecular weight

219.243 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(cc1)c2nnn(CCN)n2
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)c2nnn(n2)CCN
Canonical SMILES CACTVS 3.385 COc1ccc(cc1)c2nnn(CCN)n2
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)c2nnn(n2)CCN

IUPAC InChI

InChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3

IUPAC InChI key

FHPKDNRSYHKLSG-UHFFFAOYSA-N
RZK

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

2020-11-04

Last modified at

2021-02-12

Status

Released

Obsoleted

Not Assigned