Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

8HH : Summary

Code

8HH

One-letter code

X

Molecule name

~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine

Formula

C13 H13 N5

Formal charge

0

Molecular weight

239.276 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCNc1cc(nc2ccnn12)c3cccnc3
SMILES OpenEye OEToolkits 2.0.6 CCNc1cc(nc2n1ncc2)c3cccnc3
Canonical SMILES CACTVS 3.385 CCNc1cc(nc2ccnn12)c3cccnc3
Canonical SMILES OpenEye OEToolkits 2.0.6 CCNc1cc(nc2n1ncc2)c3cccnc3

IUPAC InChI

InChI=1S/C13H13N5/c1-2-15-13-8-11(10-4-3-6-14-9-10)17-12-5-7-16-18(12)13/h3-9,15H,2H2,1H3

IUPAC InChI key

BFTHMXHAOYUDNL-UHFFFAOYSA-N
8HH

wwPDB Information

Atom count

31 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-07

Last modified at

2017-05-12

Status

Released

Obsoleted

Not Assigned