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

C11H12ClN3O — CID 117146433

IUPAC8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(C3CCCOC3)nnc12
InChIInChI=1S/C11H12ClN3O/c12-9-4-1-5-15-10(13-14-11(9)15)8-3-2-6-16-7-8/h1,4-5,8H,2-3,6-7H2
InChIKeyQFIFODDTIKGHPB-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.28
Rot. Bonds1

About 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146433) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146433
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(C3CCCOC3)nnc12
InChIInChI=1S/C11H12ClN3O/c12-9-4-1-5-15-10(13-14-11(9)15)8-3-2-6-16-7-8/h1,4-5,8H,2-3,6-7H2
InChIKeyQFIFODDTIKGHPB-UHFFFAOYSA-N
XLogP2.28
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146489
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138986
8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146221
8-chloro-3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146509
8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146593
8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
CID 15754782
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63014932
2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide
CID 56679928
[3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145705
(2S)-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)oxolane-2-carboxamide
CID 95101199
6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137949
4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine
CID 79434236

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117146433) is 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccn2c(C3CCCOC3)nnc12.
What is the InChIKey of 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QFIFODDTIKGHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-4-1-5-15-10(13-14-11(9)15)8-3-2-6-16-7-8/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 237.69 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).