2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide

C12H15N5 — CID 28561125

IUPAC2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1-n1ccnc1C(C)C
InChIInChI=1S/C12H15N5/c1-8(2)11-16-6-7-17(11)12-9(10(13)14)4-3-5-15-12/h3-8H,1-2H3,(H3,13,14)
InChIKeyZSZBTPWQEWPKMC-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide

2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide (PubChem CID 28561125) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide
PubChem CID28561125
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1-n1ccnc1C(C)C
InChIInChI=1S/C12H15N5/c1-8(2)11-16-6-7-17(11)12-9(10(13)14)4-3-5-15-12/h3-8H,1-2H3,(H3,13,14)
InChIKeyZSZBTPWQEWPKMC-UHFFFAOYSA-N
XLogP1.67
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.67
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 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide (CID 28561125) is 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1-n1ccnc1C(C)C.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide?
The InChIKey is ZSZBTPWQEWPKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8(2)11-16-6-7-17(11)12-9(10(13)14)4-3-5-15-12/h3-8H,1-2H3,(H3,13,14).
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide?
2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide has a molecular weight of 229.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 28561125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).