N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide

C7H9N5 — CID 176894125

IUPACN'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc[nH]c1C#N
InChIInChI=1S/C7H9N5/c1-12(2)5-11-7-6(3-8)9-4-10-7/h4-5H,1-2H3,(H,9,10)/b11-5+
InChIKeyNOVGVIBNDJFYGK-VZUCSPMQSA-N
MW163.18 g/mol
LogP0.50
Rot. Bonds2

About N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide

N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 176894125) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
PubChem CID176894125
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC NameN'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc[nH]c1C#N
InChIInChI=1S/C7H9N5/c1-12(2)5-11-7-6(3-8)9-4-10-7/h4-5H,1-2H3,(H,9,10)/b11-5+
InChIKeyNOVGVIBNDJFYGK-VZUCSPMQSA-N
XLogP0.50
TPSA68.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide (CID 176894125) is N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc[nH]c1C#N.
What is the InChIKey of N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is NOVGVIBNDJFYGK-VZUCSPMQSA-N. The full InChI is InChI=1S/C7H9N5/c1-12(2)5-11-7-6(3-8)9-4-10-7/h4-5H,1-2H3,(H,9,10)/b11-5+.
What are the key properties of N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide?
N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 163.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 176894125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).