1-(azetidin-3-yl)imidazole

C6H9N3 — CID 22007463

IUPAC1-(azetidin-3-yl)imidazole
SMILESc1cn(C2CNC2)cn1
InChIInChI=1S/C6H9N3/c1-2-9(5-7-1)6-3-8-4-6/h1-2,5-6,8H,3-4H2
InChIKeyVEMKUJOKEUNKTH-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.03
Rot. Bonds1

About 1-(azetidin-3-yl)imidazole

1-(azetidin-3-yl)imidazole (PubChem CID 22007463) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-(azetidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)imidazole
PubChem CID22007463
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-(azetidin-3-yl)imidazole
SMILESc1cn(C2CNC2)cn1
InChIInChI=1S/C6H9N3/c1-2-9(5-7-1)6-3-8-4-6/h1-2,5-6,8H,3-4H2
InChIKeyVEMKUJOKEUNKTH-UHFFFAOYSA-N
XLogP0.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)imidazole?
The IUPAC name of 1-(azetidin-3-yl)imidazole (CID 22007463) is 1-(azetidin-3-yl)imidazole.
What is the SMILES notation for 1-(azetidin-3-yl)imidazole?
The canonical SMILES for 1-(azetidin-3-yl)imidazole is c1cn(C2CNC2)cn1.
What is the InChIKey of 1-(azetidin-3-yl)imidazole?
The InChIKey is VEMKUJOKEUNKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-9(5-7-1)6-3-8-4-6/h1-2,5-6,8H,3-4H2.
What are the key properties of 1-(azetidin-3-yl)imidazole?
1-(azetidin-3-yl)imidazole has a molecular weight of 123.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)imidazole is sourced from PubChem (CID 22007463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).