2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine

C14H17N5 — CID 121184455

IUPAC2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine
SMILESCc1cccnc1N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C14H17N5/c1-10-3-2-6-15-14(10)18-7-12(8-18)19-9-13(16-17-19)11-4-5-11/h2-3,6,9,11-12H,4-5,7-8H2,1H3
InChIKeyRFOQCSQLLJNBGK-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.92
Rot. Bonds3

About 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine

2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine (PubChem CID 121184455) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine.

Molecular Properties

Compound Name2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine
PubChem CID121184455
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine
SMILESCc1cccnc1N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C14H17N5/c1-10-3-2-6-15-14(10)18-7-12(8-18)19-9-13(16-17-19)11-4-5-11/h2-3,6,9,11-12H,4-5,7-8H2,1H3
InChIKeyRFOQCSQLLJNBGK-UHFFFAOYSA-N
XLogP1.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine?
The IUPAC name of 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine (CID 121184455) is 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine.
What is the SMILES notation for 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine?
The canonical SMILES for 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine is Cc1cccnc1N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine?
The InChIKey is RFOQCSQLLJNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-3-2-6-15-14(10)18-7-12(8-18)19-9-13(16-17-19)11-4-5-11/h2-3,6,9,11-12H,4-5,7-8H2,1H3.
What are the key properties of 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine?
2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine has a molecular weight of 255.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine is sourced from PubChem (CID 121184455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).