Chemical Components in the PDB

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XQ0 : Summary

Code

XQ0

One-letter code

X

Molecule name

3-METHYL-1H-INDAZOL-6-OL

Systematic names

ProgramVersionName
ACDLabs 12.01 3-methyl-1H-indazol-6-ol
OpenEye OEToolkits 1.7.0 3-methyl-1H-indazol-6-ol

Formula

C8 H8 N2 O

Formal charge

0

Molecular weight

148.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2c(c1ccc(O)cc1n2)C
SMILES CACTVS 3.370 Cc1n[nH]c2cc(O)ccc12
SMILES OpenEye OEToolkits 1.7.0 Cc1c2ccc(cc2[nH]n1)O
Canonical SMILES CACTVS 3.370 Cc1n[nH]c2cc(O)ccc12
Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1c2ccc(cc2[nH]n1)O

IUPAC InChI

InChI=1S/C8H8N2O/c1-5-7-3-2-6(11)4-8(7)10-9-5/h2-4,11H,1H3,(H,9,10)

IUPAC InChI key

WTNPPQUZRFSUQF-UHFFFAOYSA-N
XQ0

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-25

Last modified at

2011-06-10

Status

Released

Obsoleted

Not Assigned