3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine

C12H15N3 — CID 90775297

IUPAC3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
SMILESCc1cn(-c2cncc(C(C)C)c2)cn1
InChIInChI=1S/C12H15N3/c1-9(2)11-4-12(6-13-5-11)15-7-10(3)14-8-15/h4-9H,1-3H3
InChIKeyGRKMLOBNTDRRIH-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.70
Rot. Bonds2

About 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine

3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine (PubChem CID 90775297) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
PubChem CID90775297
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
SMILESCc1cn(-c2cncc(C(C)C)c2)cn1
InChIInChI=1S/C12H15N3/c1-9(2)11-4-12(6-13-5-11)15-7-10(3)14-8-15/h4-9H,1-3H3
InChIKeyGRKMLOBNTDRRIH-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine?
The IUPAC name of 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine (CID 90775297) is 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine.
What is the SMILES notation for 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine?
The canonical SMILES for 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine is Cc1cn(-c2cncc(C(C)C)c2)cn1.
What is the InChIKey of 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine?
The InChIKey is GRKMLOBNTDRRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(2)11-4-12(6-13-5-11)15-7-10(3)14-8-15/h4-9H,1-3H3.
What are the key properties of 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine?
3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine has a molecular weight of 201.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine is sourced from PubChem (CID 90775297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).