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L5V : Summary

Code

L5V

One-letter code

X

Molecule name

2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine

Systematic names

ProgramVersionName
ACDLabs 12.01 2-chloro-6-(1H-1,2,4-triazol-3-yl)pyrazine
OpenEye OEToolkits 1.9.2 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine

Formula

C6 H4 Cl N5

Formal charge

0

Molecular weight

181.582 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc2nc(c1ncnn1)cnc2
SMILES CACTVS 3.385 Clc1cncc(n1)c2n[nH]cn2
SMILES OpenEye OEToolkits 1.9.2 c1c(nc(cn1)Cl)c2nc[nH]n2
Canonical SMILES CACTVS 3.385 Clc1cncc(n1)c2n[nH]cn2
Canonical SMILES OpenEye OEToolkits 1.9.2 c1c(nc(cn1)Cl)c2nc[nH]n2

IUPAC InChI

InChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12)

IUPAC InChI key

KOARCKONUFDYQJ-UHFFFAOYSA-N
L5V

wwPDB Information

Atom count

16 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-10-18

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned