Chemical Components in the PDB

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AX3 : Summary

Code

AX3

One-letter code

X

Molecule name

N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine

Systematic names

ProgramVersionName
ACDLabs 10.04 N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine
OpenEye OEToolkits 1.5.0 N6-cyclopropyl-1,3,5-triazine-2,4,6-triamine

Formula

C6 H10 N6

Formal charge

0

Molecular weight

166.184 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(nc(nc1N)NC2CC2)N
SMILES CACTVS 3.341 Nc1nc(N)nc(NC2CC2)n1
SMILES OpenEye OEToolkits 1.5.0 C1CC1Nc2nc(nc(n2)N)N
Canonical SMILES CACTVS 3.341 Nc1nc(N)nc(NC2CC2)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CC1Nc2nc(nc(n2)N)N

IUPAC InChI

InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)

IUPAC InChI key

LVQDKIWDGQRHTE-UHFFFAOYSA-N
AX3

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-12-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned