N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide

C6H6N6 — CID 176528061

IUPACN-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide
SMILES[H]/N=C/N/C(C#N)=C(/C#N)N/C=N/[H]
InChIInChI=1S/C6H6N6/c7-1-5(11-3-9)6(2-8)12-4-10/h3-4H,(H2,9,11)(H2,10,12)/b6-5-
InChIKeyVBTPTIXCXHYGHO-WAYWQWQTSA-N
MW162.16 g/mol
LogP-0.36
Rot. Bonds4

About N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide

N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide (PubChem CID 176528061) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide
PubChem CID176528061
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC NameN-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide
SMILES[H]/N=C/N/C(C#N)=C(/C#N)N/C=N/[H]
InChIInChI=1S/C6H6N6/c7-1-5(11-3-9)6(2-8)12-4-10/h3-4H,(H2,9,11)(H2,10,12)/b6-5-
InChIKeyVBTPTIXCXHYGHO-WAYWQWQTSA-N
XLogP-0.36
TPSA119.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-methanimidoyl-N'-methylcarbamimidoyl chloride
CID 176535769
[(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide
CID 132595102
(2E)-2-[(3Z)-3-(1-cyano-2-iminoethylidene)-2,4,5-trioxocyclopentylidene]-3-iminopropanenitrile
CID 122592259
cyanic acid
CID 540
N-methanimidoyl-2-phenylpentanamide
CID 173495989
N-(2,5-dichloro-4-cyanoiminocyclohexa-2,5-dien-1-yl)methanimidamide
CID 176531046
(E)-4-imino-2-methylpent-2-enenitrile
CID 145089299
(Z)-but-2-enimidoyl cyanide
CID 123741154
(E)-5-iminopent-3-enenitrile
CID 123602892
N-[2-[[(E)-3-methanimidamido-2-methyl-3-methyliminoprop-1-enyl]-methylamino]ethyl]-N-methylacetamide
CID 176520947
7-imino-6-oxoheptanenitrile
CID 57035473
2-cyanobut-2-enimidamide
CID 123857678

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide?
The IUPAC name of N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide (CID 176528061) is N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide.
What is the SMILES notation for N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide?
The canonical SMILES for N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide is [H]/N=C/N/C(C#N)=C(/C#N)N/C=N/[H].
What is the InChIKey of N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide?
The InChIKey is VBTPTIXCXHYGHO-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H6N6/c7-1-5(11-3-9)6(2-8)12-4-10/h3-4H,(H2,9,11)(H2,10,12)/b6-5-.
What are the key properties of N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide?
N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide has a molecular weight of 162.16 g/mol, XLogP of -0.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,2-dicyano-2-methanimidamidoethenyl]methanimidamide is sourced from PubChem (CID 176528061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).