[(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide

C6H2N6 — CID 88605158

IUPAC[(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide
SMILESN#C/C(N)=C(/C#N)N(C#N)C#N
InChIInChI=1S/C6H2N6/c7-1-5(11)6(2-8)12(3-9)4-10/h11H2/b6-5+
InChIKeyAVAMNKWDRPHADX-AATRIKPKSA-N
MW158.12 g/mol
LogP-0.53
Rot. Bonds1

About [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide

[(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide (PubChem CID 88605158) has the molecular formula C6H2N6 and a molecular weight of 158.12 g/mol. Its IUPAC name is [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide.

Molecular Properties

Compound Name[(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide
PubChem CID88605158
Molecular FormulaC6H2N6
Molecular Weight158.12 g/mol
Exact Mass158.03
IUPAC Name[(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide
SMILESN#C/C(N)=C(/C#N)N(C#N)C#N
InChIInChI=1S/C6H2N6/c7-1-5(11)6(2-8)12(3-9)4-10/h11H2/b6-5+
InChIKeyAVAMNKWDRPHADX-AATRIKPKSA-N
XLogP-0.53
TPSA124.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide?
The IUPAC name of [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide (CID 88605158) is [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide.
What is the SMILES notation for [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide?
The canonical SMILES for [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide is N#C/C(N)=C(/C#N)N(C#N)C#N.
What is the InChIKey of [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide?
The InChIKey is AVAMNKWDRPHADX-AATRIKPKSA-N. The full InChI is InChI=1S/C6H2N6/c7-1-5(11)6(2-8)12(3-9)4-10/h11H2/b6-5+.
What are the key properties of [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide?
[(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide has a molecular weight of 158.12 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide is sourced from PubChem (CID 88605158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).