Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.

AX2 : Summary

Code

AX2

One-letter code

X

Molecule name

1,3,5-triazine-2,4,6-triamine

Systematic names

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

Formula

C3 H6 N6

Formal charge

0

Molecular weight

126.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(nc(nc1N)N)N
SMILES CACTVS 3.341 Nc1nc(N)nc(N)n1
SMILES OpenEye OEToolkits 1.5.0 c1(nc(nc(n1)N)N)N
Canonical SMILES CACTVS 3.341 Nc1nc(N)nc(N)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1(nc(nc(n1)N)N)N

IUPAC InChI

InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)

IUPAC InChI key

JDSHMPZPIAZGSV-UHFFFAOYSA-N
AX2

wwPDB Information

Atom count

15 (9 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

2021-03-01

Status

Released

Obsoleted

Not Assigned