2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine

C10H11N5 — CID 68752284

IUPAC2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESc1ccc(-c2n[nH]c(C3CNC3)n2)nc1
InChIInChI=1S/C10H11N5/c1-2-4-12-8(3-1)10-13-9(14-15-10)7-5-11-6-7/h1-4,7,11H,5-6H2,(H,13,14,15)
InChIKeyCLAQDSXRGNLACI-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.55
Rot. Bonds2

About 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine

2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 68752284) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID68752284
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESc1ccc(-c2n[nH]c(C3CNC3)n2)nc1
InChIInChI=1S/C10H11N5/c1-2-4-12-8(3-1)10-13-9(14-15-10)7-5-11-6-7/h1-4,7,11H,5-6H2,(H,13,14,15)
InChIKeyCLAQDSXRGNLACI-UHFFFAOYSA-N
XLogP0.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
CID 61338696
tert-butyl 4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 54773193
4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole
CID 116888611
5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 84693526
4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
CID 112569415
CID 139150015
CID 139150015
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
tert-butyl 2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate
CID 121248826
1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 82376283
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride
CID 68759356
4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine
CID 66292880
5-phenyl-N-pyridin-2-yl-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidin-2-amine
CID 11513128

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine (CID 68752284) is 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine is c1ccc(-c2n[nH]c(C3CNC3)n2)nc1.
What is the InChIKey of 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is CLAQDSXRGNLACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-2-4-12-8(3-1)10-13-9(14-15-10)7-5-11-6-7/h1-4,7,11H,5-6H2,(H,13,14,15).
What are the key properties of 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine?
2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 201.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 68752284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).