3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

C11H13N3O — CID 117138986

IUPAC3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(C3CCCOC3)nnc2c1
InChIInChI=1S/C11H13N3O/c1-2-6-14-10(5-1)12-13-11(14)9-4-3-7-15-8-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyRTXPOOFTJYOGCY-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.62
Rot. Bonds1

About 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117138986) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117138986
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(C3CCCOC3)nnc2c1
InChIInChI=1S/C11H13N3O/c1-2-6-14-10(5-1)12-13-11(14)9-4-3-7-15-8-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyRTXPOOFTJYOGCY-UHFFFAOYSA-N
XLogP1.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63014932
8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146433
6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137949
(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 175891290
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63014931
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
4-[(3R)-oxan-3-yl]oxy-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168894142
4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine
CID 77097111
2-[(2S)-oxolan-2-yl]-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 94112786
3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99956248
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117138986) is 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(C3CCCOC3)nnc2c1.
What is the InChIKey of 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is RTXPOOFTJYOGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-6-14-10(5-1)12-13-11(14)9-4-3-7-15-8-9/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 203.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117138986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).