(1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide

C3H5IN4 — CID 90452887

IUPAC(1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide
SMILES[H]/N=N/C/C=N/N=C\I
InChIInChI=1S/C3H5IN4/c4-3-8-7-2-1-6-5/h2-3,5H,1H2/b6-5+,7-2+,8-3-
InChIKeyRCRCOJMKPQPVKZ-RQMKFAAISA-N
MW224.01 g/mol
LogP1.47
Rot. Bonds3

About (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide

(1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide (PubChem CID 90452887) has the molecular formula C3H5IN4 and a molecular weight of 224.01 g/mol. Its IUPAC name is (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide.

Molecular Properties

Compound Name(1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide
PubChem CID90452887
Molecular FormulaC3H5IN4
Molecular Weight224.01 g/mol
Exact Mass223.96
IUPAC Name(1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide
SMILES[H]/N=N/C/C=N/N=C\I
InChIInChI=1S/C3H5IN4/c4-3-8-7-2-1-6-5/h2-3,5H,1H2/b6-5+,7-2+,8-3-
InChIKeyRCRCOJMKPQPVKZ-RQMKFAAISA-N
XLogP1.47
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.01
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide?
The IUPAC name of (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide (CID 90452887) is (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide.
What is the SMILES notation for (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide?
The canonical SMILES for (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide is [H]/N=N/C/C=N/N=C\I.
What is the InChIKey of (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide?
The InChIKey is RCRCOJMKPQPVKZ-RQMKFAAISA-N. The full InChI is InChI=1S/C3H5IN4/c4-3-8-7-2-1-6-5/h2-3,5H,1H2/b6-5+,7-2+,8-3-.
What are the key properties of (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide?
(1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide has a molecular weight of 224.01 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[(E)-2-diazenylethylideneamino]methanimidoyl iodide is sourced from PubChem (CID 90452887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).