N',2-dicyanoethanimidamide

C4H4N4 — CID 10996981

IUPACN',2-dicyanoethanimidamide
SMILESN#CC/C(N)=N\C#N
InChIInChI=1S/C4H4N4/c5-2-1-4(7)8-3-6/h1H2,(H2,7,8)
InChIKeyNFBYUVCAJNYCEG-UHFFFAOYSA-N
MW108.10 g/mol
LogP-0.26
Rot. Bonds1

About N',2-dicyanoethanimidamide

N',2-dicyanoethanimidamide (PubChem CID 10996981) has the molecular formula C4H4N4 and a molecular weight of 108.10 g/mol. Its IUPAC name is N',2-dicyanoethanimidamide.

Molecular Properties

Compound NameN',2-dicyanoethanimidamide
PubChem CID10996981
Molecular FormulaC4H4N4
Molecular Weight108.10 g/mol
Exact Mass108.04
IUPAC NameN',2-dicyanoethanimidamide
SMILESN#CC/C(N)=N\C#N
InChIInChI=1S/C4H4N4/c5-2-1-4(7)8-3-6/h1H2,(H2,7,8)
InChIKeyNFBYUVCAJNYCEG-UHFFFAOYSA-N
XLogP-0.26
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',2-dicyanoethanimidamide?
The IUPAC name of N',2-dicyanoethanimidamide (CID 10996981) is N',2-dicyanoethanimidamide.
What is the SMILES notation for N',2-dicyanoethanimidamide?
The canonical SMILES for N',2-dicyanoethanimidamide is N#CC/C(N)=N\C#N.
What is the InChIKey of N',2-dicyanoethanimidamide?
The InChIKey is NFBYUVCAJNYCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4/c5-2-1-4(7)8-3-6/h1H2,(H2,7,8).
What are the key properties of N',2-dicyanoethanimidamide?
N',2-dicyanoethanimidamide has a molecular weight of 108.10 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dicyanoethanimidamide is sourced from PubChem (CID 10996981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).