N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide

C6H3IN6O — CID 90194096

IUPACN-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide
SMILESN#Cc1nnnc(C(N)=O)c1/N=C/I
InChIInChI=1S/C6H3IN6O/c7-2-10-4-3(1-8)11-13-12-5(4)6(9)14/h2H,(H2,9,14)/b10-2+
InChIKeyLQUOOEYBYXRNJW-WTDSWWLTSA-N
MW302.04 g/mol
LogP-0.06
Rot. Bonds2

About N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide

N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide (PubChem CID 90194096) has the molecular formula C6H3IN6O and a molecular weight of 302.04 g/mol. Its IUPAC name is N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide.

Molecular Properties

Compound NameN-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide
PubChem CID90194096
Molecular FormulaC6H3IN6O
Molecular Weight302.04 g/mol
Exact Mass301.94
IUPAC NameN-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide
SMILESN#Cc1nnnc(C(N)=O)c1/N=C/I
InChIInChI=1S/C6H3IN6O/c7-2-10-4-3(1-8)11-13-12-5(4)6(9)14/h2H,(H2,9,14)/b10-2+
InChIKeyLQUOOEYBYXRNJW-WTDSWWLTSA-N
XLogP-0.06
TPSA117.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.04
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide?
The IUPAC name of N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide (CID 90194096) is N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide.
What is the SMILES notation for N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide?
The canonical SMILES for N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide is N#Cc1nnnc(C(N)=O)c1/N=C/I.
What is the InChIKey of N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide?
The InChIKey is LQUOOEYBYXRNJW-WTDSWWLTSA-N. The full InChI is InChI=1S/C6H3IN6O/c7-2-10-4-3(1-8)11-13-12-5(4)6(9)14/h2H,(H2,9,14)/b10-2+.
What are the key properties of N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide?
N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide has a molecular weight of 302.04 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-6-cyanotriazin-5-yl)methanimidoyl iodide is sourced from PubChem (CID 90194096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).