N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane

C7H11N5 — CID 142885023

IUPACN'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane
SMILESCC.N#C/C(N)=C(C#N)/N=C/N
InChIInChI=1S/C5H5N5.C2H6/c6-1-4(9)5(2-7)10-3-8;1-2/h3H,9H2,(H2,8,10);1-2H3/b5-4-;
InChIKeyJOUMMMLDIKFCLS-MKWAYWHRSA-N
MW165.20 g/mol
LogP0.22
Rot. Bonds1

About N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane

N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane (PubChem CID 142885023) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane.

Molecular Properties

Compound NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane
PubChem CID142885023
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane
SMILESCC.N#C/C(N)=C(C#N)/N=C/N
InChIInChI=1S/C5H5N5.C2H6/c6-1-4(9)5(2-7)10-3-8;1-2/h3H,9H2,(H2,8,10);1-2H3/b5-4-;
InChIKeyJOUMMMLDIKFCLS-MKWAYWHRSA-N
XLogP0.22
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.22
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]methanimidamide;ethane?
The IUPAC name of N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane (CID 142885023) is N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane.
What is the SMILES notation for N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane?
The canonical SMILES for N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane is CC.N#C/C(N)=C(C#N)/N=C/N.
What is the InChIKey of N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane?
The InChIKey is JOUMMMLDIKFCLS-MKWAYWHRSA-N. The full InChI is InChI=1S/C5H5N5.C2H6/c6-1-4(9)5(2-7)10-3-8;1-2/h3H,9H2,(H2,8,10);1-2H3/b5-4-;.
What are the key properties of N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane?
N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane has a molecular weight of 165.20 g/mol, XLogP of 0.22, 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]methanimidamide;ethane is sourced from PubChem (CID 142885023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).