Chemical Components in the PDB

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10L : Summary

Code

10L

One-letter code

X

Molecule name

1H-indazol-7-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 1H-indazol-7-amine
OpenEye OEToolkits 1.9.2 1H-indazol-7-amine

Formula

C7 H7 N3

Formal charge

0

Molecular weight

133.151 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2cc1cccc(c1n2)N
SMILES CACTVS 3.385 Nc1cccc2cn[nH]c12
SMILES OpenEye OEToolkits 1.9.2 c1cc2cn[nH]c2c(c1)N
Canonical SMILES CACTVS 3.385 Nc1cccc2cn[nH]c12
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc2cn[nH]c2c(c1)N

IUPAC InChI

InChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)

IUPAC InChI key

OTFFCAGPSWJBDK-UHFFFAOYSA-N
10L

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-09

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned