4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine

C11H13N5 — CID 126856842

IUPAC4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine
SMILESc1cc(N2CC(Cn3ccnn3)C2)ccn1
InChIInChI=1S/C11H13N5/c1-3-12-4-2-11(1)15-7-10(8-15)9-16-6-5-13-14-16/h1-6,10H,7-9H2
InChIKeyIZSMJHPZXFTNSD-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.81
Rot. Bonds3

About 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine

4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine (PubChem CID 126856842) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine
PubChem CID126856842
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine
SMILESc1cc(N2CC(Cn3ccnn3)C2)ccn1
InChIInChI=1S/C11H13N5/c1-3-12-4-2-11(1)15-7-10(8-15)9-16-6-5-13-14-16/h1-6,10H,7-9H2
InChIKeyIZSMJHPZXFTNSD-UHFFFAOYSA-N
XLogP0.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine?
The IUPAC name of 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine (CID 126856842) is 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine.
What is the SMILES notation for 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine?
The canonical SMILES for 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine is c1cc(N2CC(Cn3ccnn3)C2)ccn1.
What is the InChIKey of 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine?
The InChIKey is IZSMJHPZXFTNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-3-12-4-2-11(1)15-7-10(8-15)9-16-6-5-13-14-16/h1-6,10H,7-9H2.
What are the key properties of 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine?
4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine has a molecular weight of 215.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(triazol-1-ylmethyl)azetidin-1-yl]pyridine is sourced from PubChem (CID 126856842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).