Chemical Components in the PDB

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HLZ : Summary

Code

HLZ

One-letter code

X

Molecule name

1-hydrazinophthalazine

Synonyms

Hydralazine
phthalazin-1-ylhydrazine

Systematic names

ProgramVersionName
ACDLabs 12.01 1-hydrazinylphthalazine
OpenEye OEToolkits 1.7.0 phthalazin-1-ylhydrazine

Formula

C8 H8 N4

Formal charge

0

Molecular weight

160.176 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2nc(c1ccccc1c2)NN
SMILES CACTVS 3.370 NNc1nncc2ccccc12
SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)cnnc2NN
Canonical SMILES CACTVS 3.370 NNc1nncc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)cnnc2NN

IUPAC InChI

InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)

IUPAC InChI key

RPTUSVTUFVMDQK-UHFFFAOYSA-N
HLZ

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-03-02

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned



HLZ : Atoms of Molecule

Total Number of Atoms: 20
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -1.16 0.122 -0.0070
2 N2 N N2 N Y N 0 -1.622 -1.115 -0.0090
3 N3 N N3 N Y N 0 -0.864 -2.148 -0.0060
4 C4 C C4 N Y N 0 0.447 -2.085 -0.0020
5 C5 C C5 N Y N 0 1.072 -0.824 0.0010
6 C6 C C6 N Y N 0 0.239 0.325 -0.0020
7 C7 C C7 N Y N 0 0.82 1.598 -0.0010
8 C8 C C8 N Y N 0 2.178 1.714 0.0040
9 C9 C C9 N Y N 0 2.996 0.587 0.0070
10 C10 C C10 N Y N 0 2.464 -0.668 0.0050
11 N11 N N11 N N N 0 -2.029 1.2 -0.016
12 N12 N N12 N N N 0 -3.379 0.989 -0.026
13 H4 H H4 N N N 0 1.038 -2.989 0.0010
14 H7 H H7 N N N 0 0.197 2.481 -0.0030
15 H8 H H8 N N N 0 2.628 2.697 0.0050
16 H9 H H9 N N N 0 4.069 0.709 0.01
17 H10 H H10 N N N 0 3.109 -1.534 0.0080
18 HN11 H HN11 N N N 0 -1.68 2.105 -0.014
19 HN12 H HN12 N N N 0 -3.661 0.415 0.754
20 HN1A H HN1A N N N 0 -3.881 1.864 -0.032



HLZ : Chemical Bonds

Total Number of Bonds: 21
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C1 N2 C N doub 1.32 N Y
2 C1 C6 C C sing 1.41 N Y
3 C1 N11 C N sing 1.38 N N
4 N2 N3 N N sing 1.28 N Y
5 N3 C4 N C doub 1.31 N Y
6 C4 C5 C C sing 1.41 N Y
7 C5 C6 C C doub 1.42 N Y
8 C5 C10 C C sing 1.4 N Y
9 C6 C7 C C sing 1.4 N Y
10 C7 C8 C C doub 1.36 N Y
11 C8 C9 C C sing 1.39 N Y
12 C9 C10 C C doub 1.36 N Y
13 N11 N12 N N sing 1.37 N N
14 C4 H4 C H sing 1.08 N N
15 C7 H7 C H sing 1.08 N N
16 C8 H8 C H sing 1.08 N N
17 C9 H9 C H sing 1.08 N N
18 C10 H10 C H sing 1.08 N N
19 N11 HN11 N H sing 0.97 N N
20 N12 HN12 N H sing 1.01 N N
21 N12 HN1A N H sing 1.01 N N



HLZ : Used in PDB Entries

Total Number of PDB Entries: 1
Ligand Code PDB Entry ID Type Total Distinct
HLZ 3ltw Open in New Window Bound ligand 2 1