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

C11H13N5 — CID 121183780

IUPAC2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine
SMILESCc1cc(N2CC(n3ccnn3)C2)ccn1
InChIInChI=1S/C11H13N5/c1-9-6-10(2-3-12-9)15-7-11(8-15)16-5-4-13-14-16/h2-6,11H,7-8H2,1H3
InChIKeyJNVQWMSQRDCZEP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.04
Rot. Bonds2

About 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine

2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine (PubChem CID 121183780) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine
PubChem CID121183780
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine
SMILESCc1cc(N2CC(n3ccnn3)C2)ccn1
InChIInChI=1S/C11H13N5/c1-9-6-10(2-3-12-9)15-7-11(8-15)16-5-4-13-14-16/h2-6,11H,7-8H2,1H3
InChIKeyJNVQWMSQRDCZEP-UHFFFAOYSA-N
XLogP1.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine?
The IUPAC name of 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine (CID 121183780) is 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine?
The canonical SMILES for 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine is Cc1cc(N2CC(n3ccnn3)C2)ccn1.
What is the InChIKey of 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine?
The InChIKey is JNVQWMSQRDCZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-9-6-10(2-3-12-9)15-7-11(8-15)16-5-4-13-14-16/h2-6,11H,7-8H2,1H3.
What are the key properties of 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine?
2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine has a molecular weight of 215.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine is sourced from PubChem (CID 121183780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).