4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine

C12H15ClN4O — CID 117142388

IUPAC4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine
SMILESClc1cccc2nnc(CCN3CCOCC3)n12
InChIInChI=1S/C12H15ClN4O/c13-10-2-1-3-11-14-15-12(17(10)11)4-5-16-6-8-18-9-7-16/h1-3H,4-9H2
InChIKeyJNWWUTRKZVIYQJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.26
Rot. Bonds3

About 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine

4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine (PubChem CID 117142388) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine
PubChem CID117142388
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine
SMILESClc1cccc2nnc(CCN3CCOCC3)n12
InChIInChI=1S/C12H15ClN4O/c13-10-2-1-3-11-14-15-12(17(10)11)4-5-16-6-8-18-9-7-16/h1-3H,4-9H2
InChIKeyJNWWUTRKZVIYQJ-UHFFFAOYSA-N
XLogP1.26
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine (CID 117142388) is 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine is Clc1cccc2nnc(CCN3CCOCC3)n12.
What is the InChIKey of 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine?
The InChIKey is JNWWUTRKZVIYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c13-10-2-1-3-11-14-15-12(17(10)11)4-5-16-6-8-18-9-7-16/h1-3H,4-9H2.
What are the key properties of 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine?
4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine has a molecular weight of 266.73 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine is sourced from PubChem (CID 117142388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).