5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide

C11H13N5 — CID 115489732

IUPAC5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ccnc2CC)cn1
InChIInChI=1S/C11H13N5/c1-2-10-14-5-6-16(10)8-3-4-9(11(12)13)15-7-8/h3-7H,2H2,1H3,(H3,12,13)
InChIKeyZBJQROHKXVSBCT-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.11
Rot. Bonds3

About 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide

5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide (PubChem CID 115489732) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
PubChem CID115489732
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ccnc2CC)cn1
InChIInChI=1S/C11H13N5/c1-2-10-14-5-6-16(10)8-3-4-9(11(12)13)15-7-8/h3-7H,2H2,1H3,(H3,12,13)
InChIKeyZBJQROHKXVSBCT-UHFFFAOYSA-N
XLogP1.11
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.11
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 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide (CID 115489732) is 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(-n2ccnc2CC)cn1.
What is the InChIKey of 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide?
The InChIKey is ZBJQROHKXVSBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-10-14-5-6-16(10)8-3-4-9(11(12)13)15-7-8/h3-7H,2H2,1H3,(H3,12,13).
What are the key properties of 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide?
5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide has a molecular weight of 215.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 115489732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).