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

C12H12N4 — CID 28561003

IUPAC2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile
SMILESCC(C)c1nccn1-c1ncccc1C#N
InChIInChI=1S/C12H12N4/c1-9(2)11-15-6-7-16(11)12-10(8-13)4-3-5-14-12/h3-7,9H,1-2H3
InChIKeyUYJGPMNLJZPMCF-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.26
Rot. Bonds2

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

2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile (PubChem CID 28561003) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile
PubChem CID28561003
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile
SMILESCC(C)c1nccn1-c1ncccc1C#N
InChIInChI=1S/C12H12N4/c1-9(2)11-15-6-7-16(11)12-10(8-13)4-3-5-14-12/h3-7,9H,1-2H3
InChIKeyUYJGPMNLJZPMCF-UHFFFAOYSA-N
XLogP2.26
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile (CID 28561003) is 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile is CC(C)c1nccn1-c1ncccc1C#N.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile?
The InChIKey is UYJGPMNLJZPMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9(2)11-15-6-7-16(11)12-10(8-13)4-3-5-14-12/h3-7,9H,1-2H3.
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile?
2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 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-carbonitrile is sourced from PubChem (CID 28561003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).