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

C10H11N5 — CID 115489725

IUPAC5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ccnc2C)cn1
InChIInChI=1S/C10H11N5/c1-7-13-4-5-15(7)8-2-3-9(10(11)12)14-6-8/h2-6H,1H3,(H3,11,12)
InChIKeyDWQZBBJCWLJCPT-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.86
Rot. Bonds2

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

5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide (PubChem CID 115489725) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide
PubChem CID115489725
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ccnc2C)cn1
InChIInChI=1S/C10H11N5/c1-7-13-4-5-15(7)8-2-3-9(10(11)12)14-6-8/h2-6H,1H3,(H3,11,12)
InChIKeyDWQZBBJCWLJCPT-UHFFFAOYSA-N
XLogP0.86
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.86
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-methylimidazol-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide (CID 115489725) is 5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(-n2ccnc2C)cn1.
What is the InChIKey of 5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide?
The InChIKey is DWQZBBJCWLJCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-7-13-4-5-15(7)8-2-3-9(10(11)12)14-6-8/h2-6H,1H3,(H3,11,12).
What are the key properties of 5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide?
5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide has a molecular weight of 201.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 115489725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).