Chemical Components in the PDB

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2AI : Summary

Code

2AI

One-letter code

X

Molecule name

1H-imidazol-2-amine

Systematic names

ProgramVersionName
ACDLabs 10.04 1H-imidazol-2-amine
OpenEye OEToolkits 1.5.0 1H-imidazol-2-amine

Formula

C3 H5 N3

Formal charge

0

Molecular weight

83.092 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1ccnc1N
SMILES CACTVS 3.341 Nc1[nH]ccn1
SMILES OpenEye OEToolkits 1.5.0 c1cnc([nH]1)N
Canonical SMILES CACTVS 3.341 Nc1[nH]ccn1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cnc([nH]1)N

IUPAC InChI

InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)

IUPAC InChI key

DEPDDPLQZYCHOH-UHFFFAOYSA-N
2AI

wwPDB Information

Atom count

11 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-11-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned