4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide

C8H10N6 — CID 135745789

IUPAC4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)c1[nH]cnc1/N=C/N(C)C
InChIInChI=1S/C8H10N6/c1-14(2)5-13-8-7(6(10)3-9)11-4-12-8/h4-5,10H,1-2H3,(H,11,12)/b10-6+,13-5+
InChIKeyLGMRGBFQKVREMW-MRYFUCILSA-N
MW190.21 g/mol
LogP0.52
Rot. Bonds3

About 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide

4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide (PubChem CID 135745789) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide.

Molecular Properties

Compound Name4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide
PubChem CID135745789
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)c1[nH]cnc1/N=C/N(C)C
InChIInChI=1S/C8H10N6/c1-14(2)5-13-8-7(6(10)3-9)11-4-12-8/h4-5,10H,1-2H3,(H,11,12)/b10-6+,13-5+
InChIKeyLGMRGBFQKVREMW-MRYFUCILSA-N
XLogP0.52
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide?
The IUPAC name of 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide (CID 135745789) is 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide.
What is the SMILES notation for 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide?
The canonical SMILES for 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide is [H]/N=C(\C#N)c1[nH]cnc1/N=C/N(C)C.
What is the InChIKey of 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide?
The InChIKey is LGMRGBFQKVREMW-MRYFUCILSA-N. The full InChI is InChI=1S/C8H10N6/c1-14(2)5-13-8-7(6(10)3-9)11-4-12-8/h4-5,10H,1-2H3,(H,11,12)/b10-6+,13-5+.
What are the key properties of 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide?
4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide has a molecular weight of 190.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide is sourced from PubChem (CID 135745789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).