(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide

C9H8IN5 — CID 172980468

IUPAC(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1I
InChIInChI=1S/C9H8IN5/c10-6-3-1-2-4-7(6)14-15-8(5-11)9(12)13/h1-4,14H,(H3,12,13)/b15-8+
InChIKeyIGQOANQADNIQJU-OVCLIPMQSA-N
MW313.10 g/mol
LogP1.52
Rot. Bonds3

About (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide (PubChem CID 172980468) has the molecular formula C9H8IN5 and a molecular weight of 313.10 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
PubChem CID172980468
Molecular FormulaC9H8IN5
Molecular Weight313.10 g/mol
Exact Mass312.98
IUPAC Name(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1I
InChIInChI=1S/C9H8IN5/c10-6-3-1-2-4-7(6)14-15-8(5-11)9(12)13/h1-4,14H,(H3,12,13)/b15-8+
InChIKeyIGQOANQADNIQJU-OVCLIPMQSA-N
XLogP1.52
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide
CID 172979869
(1Z)-2-amino-2-imino-N-(2-propan-2-yloxyanilino)ethanimidoyl cyanide
CID 172976119
(1Z)-2-amino-N-(3-bromo-2-methylanilino)-2-iminoethanimidoyl cyanide
CID 172980433
(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931872
(1Z)-2-amino-N-(2-fluoro-4-iodoanilino)-2-iminoethanimidoyl cyanide
CID 172931612
(1Z)-2-amino-N-[2-(3,5-difluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979840
(1Z)-N-(3-acetyl-2-hydroxyanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172980128
(1Z)-2-amino-2-imino-N-(2-propylsulfanylanilino)ethanimidoyl cyanide
CID 172977189
(1Z)-2-amino-N-(1-benzofuran-4-ylamino)-2-iminoethanimidoyl cyanide
CID 172979480
(1Z)-2-amino-2-imino-N-(2-morpholin-4-ylanilino)ethanimidoyl cyanide
CID 172976073

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide (CID 172980468) is (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccccc1I.
What is the InChIKey of (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide?
The InChIKey is IGQOANQADNIQJU-OVCLIPMQSA-N. The full InChI is InChI=1S/C9H8IN5/c10-6-3-1-2-4-7(6)14-15-8(5-11)9(12)13/h1-4,14H,(H3,12,13)/b15-8+.
What are the key properties of (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide has a molecular weight of 313.10 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide is sourced from PubChem (CID 172980468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).