3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine

C12H15N3 — CID 105453792

IUPAC3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine
SMILESCc1cccc2cnc(CC3CNC3)n12
InChIInChI=1S/C12H15N3/c1-9-3-2-4-11-8-14-12(15(9)11)5-10-6-13-7-10/h2-4,8,10,13H,5-7H2,1H3
InChIKeyLIWYUTPICNANSR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.40
Rot. Bonds2

About 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine

3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine (PubChem CID 105453792) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine
PubChem CID105453792
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine
SMILESCc1cccc2cnc(CC3CNC3)n12
InChIInChI=1S/C12H15N3/c1-9-3-2-4-11-8-14-12(15(9)11)5-10-6-13-7-10/h2-4,8,10,13H,5-7H2,1H3
InChIKeyLIWYUTPICNANSR-UHFFFAOYSA-N
XLogP1.40
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine?
The IUPAC name of 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine (CID 105453792) is 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine is Cc1cccc2cnc(CC3CNC3)n12.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine?
The InChIKey is LIWYUTPICNANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-3-2-4-11-8-14-12(15(9)11)5-10-6-13-7-10/h2-4,8,10,13H,5-7H2,1H3.
What are the key properties of 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine?
3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine has a molecular weight of 201.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-5-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 105453792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).