Chemical Components in the PDB

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M5H : Summary

Code

M5H

One-letter code

X

Molecule name

3-imidazolidin-2-yl-2~{H}-indazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-imidazolidin-2-yl-2~{H}-indazole

Formula

C10 H12 N4

Formal charge

0

Molecular weight

188.229 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C1CNC(N1)c2[nH]nc3ccccc23
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c([nH]n2)C3NCCN3
Canonical SMILES CACTVS 3.385 C1CNC(N1)c2[nH]nc3ccccc23
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c([nH]n2)C3NCCN3

IUPAC InChI

InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14)

IUPAC InChI key

UPWGIYRWPULZDG-UHFFFAOYSA-N
M5H

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

2019-10-03

Last modified at

2020-02-28

Status

Released

Obsoleted

Not Assigned