(1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide

C11H9N7O — CID 172977642

IUPAC(1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1-c1nnco1
InChIInChI=1S/C11H9N7O/c12-5-9(10(13)14)17-16-8-4-2-1-3-7(8)11-18-15-6-19-11/h1-4,6,16H,(H3,13,14)/b17-9+
InChIKeyOOZXEJSIUPDORI-RQZCQDPDSA-N
MW255.24 g/mol
LogP0.96
Rot. Bonds4

About (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide (PubChem CID 172977642) has the molecular formula C11H9N7O and a molecular weight of 255.24 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide
PubChem CID172977642
Molecular FormulaC11H9N7O
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name(1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1-c1nnco1
InChIInChI=1S/C11H9N7O/c12-5-9(10(13)14)17-16-8-4-2-1-3-7(8)11-18-15-6-19-11/h1-4,6,16H,(H3,13,14)/b17-9+
InChIKeyOOZXEJSIUPDORI-RQZCQDPDSA-N
XLogP0.96
TPSA136.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-[2-(3,5-difluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979840
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
CID 172980468
(1Z)-2-amino-N-[2-(3,4-difluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172977146
(1Z)-2-amino-N-(1-benzofuran-4-ylamino)-2-iminoethanimidoyl cyanide
CID 172979480
(1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172977053
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1Z)-2-amino-2-imino-N-(2-morpholin-4-ylanilino)ethanimidoyl cyanide
CID 172976073
(1Z)-2-amino-2-imino-N-(2-propan-2-yloxyanilino)ethanimidoyl cyanide
CID 172976119
3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-(2-phenylanilino)benzoic acid
CID 172980124
(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931872
(1Z)-2-amino-N-(3-bromo-2-methylanilino)-2-iminoethanimidoyl cyanide
CID 172980433

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide (CID 172977642) is (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccccc1-c1nnco1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide?
The InChIKey is OOZXEJSIUPDORI-RQZCQDPDSA-N. The full InChI is InChI=1S/C11H9N7O/c12-5-9(10(13)14)17-16-8-4-2-1-3-7(8)11-18-15-6-19-11/h1-4,6,16H,(H3,13,14)/b17-9+.
What are the key properties of (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide has a molecular weight of 255.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172977642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).