N'-cyano-2-ethenylimidazole-1-carboximidamide

C7H7N5 — CID 87582723

IUPACN'-cyano-2-ethenylimidazole-1-carboximidamide
SMILESC=Cc1nccn1/C(N)=N/C#N
InChIInChI=1S/C7H7N5/c1-2-6-10-3-4-12(6)7(9)11-5-8/h2-4H,1H2,(H2,9,11)
InChIKeySFDQJQRLUDKNNO-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.17
Rot. Bonds1

About N'-cyano-2-ethenylimidazole-1-carboximidamide

N'-cyano-2-ethenylimidazole-1-carboximidamide (PubChem CID 87582723) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is N'-cyano-2-ethenylimidazole-1-carboximidamide.

Molecular Properties

Compound NameN'-cyano-2-ethenylimidazole-1-carboximidamide
PubChem CID87582723
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC NameN'-cyano-2-ethenylimidazole-1-carboximidamide
SMILESC=Cc1nccn1/C(N)=N/C#N
InChIInChI=1S/C7H7N5/c1-2-6-10-3-4-12(6)7(9)11-5-8/h2-4H,1H2,(H2,9,11)
InChIKeySFDQJQRLUDKNNO-UHFFFAOYSA-N
XLogP0.17
TPSA79.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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'-cyano-2-ethenylimidazole-1-carboximidamide?
The IUPAC name of N'-cyano-2-ethenylimidazole-1-carboximidamide (CID 87582723) is N'-cyano-2-ethenylimidazole-1-carboximidamide.
What is the SMILES notation for N'-cyano-2-ethenylimidazole-1-carboximidamide?
The canonical SMILES for N'-cyano-2-ethenylimidazole-1-carboximidamide is C=Cc1nccn1/C(N)=N/C#N.
What is the InChIKey of N'-cyano-2-ethenylimidazole-1-carboximidamide?
The InChIKey is SFDQJQRLUDKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-2-6-10-3-4-12(6)7(9)11-5-8/h2-4H,1H2,(H2,9,11).
What are the key properties of N'-cyano-2-ethenylimidazole-1-carboximidamide?
N'-cyano-2-ethenylimidazole-1-carboximidamide has a molecular weight of 161.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-2-ethenylimidazole-1-carboximidamide is sourced from PubChem (CID 87582723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).