N'-cyanoimidazole-1-carboximidamide

C5H5N5 — CID 14985085

IUPACN'-cyanoimidazole-1-carboximidamide
SMILESN#C/N=C(\N)n1ccnc1
InChIInChI=1S/C5H5N5/c6-3-9-5(7)10-2-1-8-4-10/h1-2,4H,(H2,7,9)
InChIKeyWIMUTXRYGXWKDC-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.47
Rot. Bonds

About N'-cyanoimidazole-1-carboximidamide

N'-cyanoimidazole-1-carboximidamide (PubChem CID 14985085) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is N'-cyanoimidazole-1-carboximidamide.

Molecular Properties

Compound NameN'-cyanoimidazole-1-carboximidamide
PubChem CID14985085
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC NameN'-cyanoimidazole-1-carboximidamide
SMILESN#C/N=C(\N)n1ccnc1
InChIInChI=1S/C5H5N5/c6-3-9-5(7)10-2-1-8-4-10/h1-2,4H,(H2,7,9)
InChIKeyWIMUTXRYGXWKDC-UHFFFAOYSA-N
XLogP-0.47
TPSA79.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.47
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'-cyanoimidazole-1-carboximidamide?
The IUPAC name of N'-cyanoimidazole-1-carboximidamide (CID 14985085) is N'-cyanoimidazole-1-carboximidamide.
What is the SMILES notation for N'-cyanoimidazole-1-carboximidamide?
The canonical SMILES for N'-cyanoimidazole-1-carboximidamide is N#C/N=C(\N)n1ccnc1.
What is the InChIKey of N'-cyanoimidazole-1-carboximidamide?
The InChIKey is WIMUTXRYGXWKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-3-9-5(7)10-2-1-8-4-10/h1-2,4H,(H2,7,9).
What are the key properties of N'-cyanoimidazole-1-carboximidamide?
N'-cyanoimidazole-1-carboximidamide has a molecular weight of 135.13 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyanoimidazole-1-carboximidamide is sourced from PubChem (CID 14985085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).