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YY1 : Summary

Code

YY1

One-letter code

X

Molecule name

5-methyl-4H-1,2,4-triazole-3-thiol

Systematic names

ProgramVersionName
ACDLabs 12.01 5-methyl-4H-1,2,4-triazole-3-thiol
OpenEye OEToolkits 1.9.2 5-methyl-4H-1,2,4-triazole-3-thiol

Formula

C3 H5 N3 S

Formal charge

0

Molecular weight

115.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Sc1nnc(n1)C
SMILES CACTVS 3.385 Cc1[nH]c(S)nn1
SMILES OpenEye OEToolkits 1.9.2 Cc1[nH]c(nn1)S
Canonical SMILES CACTVS 3.385 Cc1[nH]c(S)nn1
Canonical SMILES OpenEye OEToolkits 1.9.2 Cc1[nH]c(nn1)S

IUPAC InChI

InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)

IUPAC InChI key

OUZCWDMJTKYHCA-UHFFFAOYSA-N
YY1

wwPDB Information

Atom count

12 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-10-24

Last modified at

2020-05-30

Status

Released

Obsoleted

Not Assigned