3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine

C12H14N4 — CID 107587235

IUPAC3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
SMILESCc1cncc(-n2cncc2C2CNC2)c1
InChIInChI=1S/C12H14N4/c1-9-2-11(6-13-3-9)16-8-15-7-12(16)10-4-14-5-10/h2-3,6-8,10,14H,4-5H2,1H3
InChIKeyISBMLACLOHCMOF-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.26
Rot. Bonds2

About 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine

3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine (PubChem CID 107587235) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine.

Molecular Properties

Compound Name3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
PubChem CID107587235
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
SMILESCc1cncc(-n2cncc2C2CNC2)c1
InChIInChI=1S/C12H14N4/c1-9-2-11(6-13-3-9)16-8-15-7-12(16)10-4-14-5-10/h2-3,6-8,10,14H,4-5H2,1H3
InChIKeyISBMLACLOHCMOF-UHFFFAOYSA-N
XLogP1.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine?
The IUPAC name of 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine (CID 107587235) is 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine.
What is the SMILES notation for 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine?
The canonical SMILES for 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine is Cc1cncc(-n2cncc2C2CNC2)c1.
What is the InChIKey of 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine?
The InChIKey is ISBMLACLOHCMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-2-11(6-13-3-9)16-8-15-7-12(16)10-4-14-5-10/h2-3,6-8,10,14H,4-5H2,1H3.
What are the key properties of 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine?
3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine has a molecular weight of 214.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine is sourced from PubChem (CID 107587235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).