3-cyclobutylimidazole-4-carboximidamide

C8H12N4 — CID 83873239

IUPAC3-cyclobutylimidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cncn1C1CCC1
InChIInChI=1S/C8H12N4/c9-8(10)7-4-11-5-12(7)6-2-1-3-6/h4-6H,1-3H2,(H3,9,10)
InChIKeyJHKXVTCDGXEETB-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.89
Rot. Bonds2

About 3-cyclobutylimidazole-4-carboximidamide

3-cyclobutylimidazole-4-carboximidamide (PubChem CID 83873239) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-cyclobutylimidazole-4-carboximidamide.

Molecular Properties

Compound Name3-cyclobutylimidazole-4-carboximidamide
PubChem CID83873239
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-cyclobutylimidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cncn1C1CCC1
InChIInChI=1S/C8H12N4/c9-8(10)7-4-11-5-12(7)6-2-1-3-6/h4-6H,1-3H2,(H3,9,10)
InChIKeyJHKXVTCDGXEETB-UHFFFAOYSA-N
XLogP0.89
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
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 3-cyclobutylimidazole-4-carboximidamide?
The IUPAC name of 3-cyclobutylimidazole-4-carboximidamide (CID 83873239) is 3-cyclobutylimidazole-4-carboximidamide.
What is the SMILES notation for 3-cyclobutylimidazole-4-carboximidamide?
The canonical SMILES for 3-cyclobutylimidazole-4-carboximidamide is [H]/N=C(\N)c1cncn1C1CCC1.
What is the InChIKey of 3-cyclobutylimidazole-4-carboximidamide?
The InChIKey is JHKXVTCDGXEETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-8(10)7-4-11-5-12(7)6-2-1-3-6/h4-6H,1-3H2,(H3,9,10).
What are the key properties of 3-cyclobutylimidazole-4-carboximidamide?
3-cyclobutylimidazole-4-carboximidamide has a molecular weight of 164.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylimidazole-4-carboximidamide is sourced from PubChem (CID 83873239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).