N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide

C6H7N5 — CID 134890750

IUPACN'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide
SMILESC/C(N)=N\C(C#N)=C(/N)C#N
InChIInChI=1S/C6H7N5/c1-4(9)11-6(3-8)5(10)2-7/h10H2,1H3,(H2,9,11)/b6-5-
InChIKeyOQCJYLQYFQBPGP-WAYWQWQTSA-N
MW149.16 g/mol
LogP-0.42
Rot. Bonds1

About N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide

N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide (PubChem CID 134890750) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide
PubChem CID134890750
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide
SMILESC/C(N)=N\C(C#N)=C(/N)C#N
InChIInChI=1S/C6H7N5/c1-4(9)11-6(3-8)5(10)2-7/h10H2,1H3,(H2,9,11)/b6-5-
InChIKeyOQCJYLQYFQBPGP-WAYWQWQTSA-N
XLogP-0.42
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide?
The IUPAC name of N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide (CID 134890750) is N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide is C/C(N)=N\C(C#N)=C(/N)C#N.
What is the InChIKey of N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide?
The InChIKey is OQCJYLQYFQBPGP-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H7N5/c1-4(9)11-6(3-8)5(10)2-7/h10H2,1H3,(H2,9,11)/b6-5-.
What are the key properties of N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide?
N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide has a molecular weight of 149.16 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-amino-1,2-dicyanoethenyl]ethanimidamide is sourced from PubChem (CID 134890750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).