Chemical Components in the PDB

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A1H4L : Summary

Code

A1H4L

One-letter code

X

Molecule name

1H-pyrrolo[3,2-b]pyridin-5-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1~{H}-pyrrolo[3,2-b]pyridin-5-amine

Formula

C7 H7 N3

Formal charge

0

Molecular weight

133.151 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ccc2[nH]ccc2n1
SMILES OpenEye OEToolkits 2.0.7 c1cc(nc2c1[nH]cc2)N
Canonical SMILES CACTVS 3.385 Nc1ccc2[nH]ccc2n1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(nc2c1[nH]cc2)N

IUPAC InChI

InChI=1S/C7H7N3/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H,(H2,8,10)

IUPAC InChI key

NOEYQOAKBMZXFX-UHFFFAOYSA-N
A1H4L

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2024-02-15

Last modified at

2024-03-15

Status

Released

Obsoleted

Not Assigned