[(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide

C6H2N6 — CID 132595102

IUPAC[(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide
SMILESN#CN/C(C#N)=C(/C#N)NC#N
InChIInChI=1S/C6H2N6/c7-1-5(11-3-9)6(2-8)12-4-10/h11-12H/b6-5-
InChIKeyTZOUEEKBXAYAGD-WAYWQWQTSA-N
MW158.12 g/mol
LogP-0.61
Rot. Bonds2

About [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide

[(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide (PubChem CID 132595102) has the molecular formula C6H2N6 and a molecular weight of 158.12 g/mol. Its IUPAC name is [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide.

Molecular Properties

Compound Name[(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide
PubChem CID132595102
Molecular FormulaC6H2N6
Molecular Weight158.12 g/mol
Exact Mass158.03
IUPAC Name[(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide
SMILESN#CN/C(C#N)=C(/C#N)NC#N
InChIInChI=1S/C6H2N6/c7-1-5(11-3-9)6(2-8)12-4-10/h11-12H/b6-5-
InChIKeyTZOUEEKBXAYAGD-WAYWQWQTSA-N
XLogP-0.61
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
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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Related Compounds

(Z)-2,3-diamino-3-isocyanoprop-2-enenitrile
CID 59748448
(E)-2,3-diamino-3-isocyanoprop-2-enenitrile
CID 60111389
(E)-2,3-diamino-4-azanylidyne-N-cyanobut-2-enenitrilium
CID 88336779
[(E)-2-amino-1,2-dicyanoethenyl]-cyanocyanamide
CID 88605158
3,3-Diamino-2-isocyanoprop-2-enenitrile
CID 153463891
[(E)-2-amino-1,2-dicyanoethenyl]cyanamide
CID 10887952
[(E)-2-chloro-1,2-dicyanoethenyl]cyanamide
CID 133664182

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide?
The IUPAC name of [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide (CID 132595102) is [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide.
What is the SMILES notation for [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide?
The canonical SMILES for [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide is N#CN/C(C#N)=C(/C#N)NC#N.
What is the InChIKey of [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide?
The InChIKey is TZOUEEKBXAYAGD-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H2N6/c7-1-5(11-3-9)6(2-8)12-4-10/h11-12H/b6-5-.
What are the key properties of [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide?
[(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide has a molecular weight of 158.12 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide is sourced from PubChem (CID 132595102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).