|
PYZ : Summary
Code
|
PYZ
|
One-letter code
|
X
|
Molecule name
|
4-IODOPYRAZOLE
|
Systematic names
|
|
Formula
|
C3 H3 I N2
|
Formal charge
|
0
|
Molecular weight
|
193.974 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
Ic1cnnc1 |
SMILES
|
CACTVS |
3.341 |
Ic1c[nH]nc1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1c(cn[nH]1)I |
Canonical SMILES
|
CACTVS |
3.341 |
Ic1c[nH]nc1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1c(cn[nH]1)I |
|
IUPAC InChI | InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6) |
IUPAC InChI key | LLNQWPTUJJYTTE-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
9 (6 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
1999-07-08
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|