tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide

C33H21Fe3N24O3 — CID 11963736

IUPACtris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide
SMILESNNC(=O)c1ccncc1.NNC(=O)c1ccncc1.NNC(=O)c1ccncc1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].[Fe+5].[Fe+5]
InChIInChI=1S/3C6H7N3O.15CN.3Fe/c3*7-9-6(10)5-1-3-8-4-2-5;15*1-2;;;/h3*1-4H,7H2,(H,9,10);;;;;;;;;;;;;;;;;;/q;;;15*-1;3*+5
InChIKeySQLLWLXVOVVORH-UHFFFAOYSA-N
MW969.23 g/mol
LogP0.49
Rot. Bonds3

About tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide

tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide (PubChem CID 11963736) has the molecular formula C33H21Fe3N24O3 and a molecular weight of 969.23 g/mol. Its IUPAC name is tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide.

Molecular Properties

Compound Nametris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide
PubChem CID11963736
Molecular FormulaC33H21Fe3N24O3
Molecular Weight969.23 g/mol
Exact Mass969.03
IUPAC Nametris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide
SMILESNNC(=O)c1ccncc1.NNC(=O)c1ccncc1.NNC(=O)c1ccncc1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].[Fe+5].[Fe+5]
InChIInChI=1S/3C6H7N3O.15CN.3Fe/c3*7-9-6(10)5-1-3-8-4-2-5;15*1-2;;;/h3*1-4H,7H2,(H,9,10);;;;;;;;;;;;;;;;;;/q;;;15*-1;3*+5
InChIKeySQLLWLXVOVVORH-UHFFFAOYSA-N
XLogP0.49
TPSA560.88 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.23
LogP ≤ 50.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Isoniazid
CID 3767
Nialamide
CID 4472
Acetylisoniazid
CID 71602
Metazide
CID 15568
N'-[(1E)-pyridin-2-ylmethylene]isonicotinohydrazide
CID 5469565
4-Pyridinecarboxaldehyde isonicotinoyl hydrazone
CID 5469567
1,2-Diisonicotinoylhydrazine
CID 72489
N'-Isonicotinoylbenzohydrazide
CID 569538
N'-(3-Pyridinylmethylene)isonicotinohydrazide
CID 5469566
N'-isobutylpyridine-4-carbohydrazide
CID 468611
N'-(1-cyano-1-methylethyl)isonicotinohydrazide
CID 468618
Isonicotinic acid, 2-ethylhydrazide
CID 16904

Frequently Asked Questions

What is the IUPAC name of tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide?
The IUPAC name of tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide (CID 11963736) is tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide.
What is the SMILES notation for tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide?
The canonical SMILES for tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide is NNC(=O)c1ccncc1.NNC(=O)c1ccncc1.NNC(=O)c1ccncc1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].[Fe+5].[Fe+5].
What is the InChIKey of tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide?
The InChIKey is SQLLWLXVOVVORH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N3O.15CN.3Fe/c3*7-9-6(10)5-1-3-8-4-2-5;15*1-2;;;/h3*1-4H,7H2,(H,9,10);;;;;;;;;;;;;;;;;;/q;;;15*-1;3*+5.
What are the key properties of tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide?
tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide has a molecular weight of 969.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tris(iron(5+));tris(pyridine-4-carbohydrazide);pentadecacyanide is sourced from PubChem (CID 11963736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).