3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C12H15N3O — CID 177167527

IUPAC3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cccc2nnc(C3COC3)n12
InChIInChI=1S/C12H15N3O/c1-8(2)10-4-3-5-11-13-14-12(15(10)11)9-6-16-7-9/h3-5,8-9H,6-7H2,1-2H3
InChIKeyYJSGSBBVMIEUSS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.97
Rot. Bonds2

About 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 177167527) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID177167527
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cccc2nnc(C3COC3)n12
InChIInChI=1S/C12H15N3O/c1-8(2)10-4-3-5-11-13-14-12(15(10)11)9-6-16-7-9/h3-5,8-9H,6-7H2,1-2H3
InChIKeyYJSGSBBVMIEUSS-UHFFFAOYSA-N
XLogP1.97
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 177167527) is 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1cccc2nnc(C3COC3)n12.
What is the InChIKey of 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YJSGSBBVMIEUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)10-4-3-5-11-13-14-12(15(10)11)9-6-16-7-9/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 217.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 177167527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).