3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine

C13H16N4 — CID 110198098

IUPAC3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine
SMILESCc1cnc(-c2cccnc2)n1CC1CNC1
InChIInChI=1S/C13H16N4/c1-10-5-16-13(12-3-2-4-14-8-12)17(10)9-11-6-15-7-11/h2-5,8,11,15H,6-7,9H2,1H3
InChIKeyBJLLDPSFXQJAEC-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.47
Rot. Bonds3

About 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine

3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine (PubChem CID 110198098) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine
PubChem CID110198098
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine
SMILESCc1cnc(-c2cccnc2)n1CC1CNC1
InChIInChI=1S/C13H16N4/c1-10-5-16-13(12-3-2-4-14-8-12)17(10)9-11-6-15-7-11/h2-5,8,11,15H,6-7,9H2,1H3
InChIKeyBJLLDPSFXQJAEC-UHFFFAOYSA-N
XLogP1.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine?
The IUPAC name of 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine (CID 110198098) is 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine is Cc1cnc(-c2cccnc2)n1CC1CNC1.
What is the InChIKey of 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine?
The InChIKey is BJLLDPSFXQJAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-5-16-13(12-3-2-4-14-8-12)17(10)9-11-6-15-7-11/h2-5,8,11,15H,6-7,9H2,1H3.
What are the key properties of 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine?
3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine has a molecular weight of 228.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(azetidin-3-ylmethyl)-5-methylimidazol-2-yl]pyridine is sourced from PubChem (CID 110198098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).