3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane

C12H13ClN4O — CID 170627401

IUPAC3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESClc1nc2ccc(N3CC4CCC(C3)O4)cn2n1
InChIInChI=1S/C12H13ClN4O/c13-12-14-11-4-1-8(5-17(11)15-12)16-6-9-2-3-10(7-16)18-9/h1,4-5,9-10H,2-3,6-7H2
InChIKeyNZUHJLNSUKKWNL-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.75
Rot. Bonds1

About 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 170627401) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID170627401
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESClc1nc2ccc(N3CC4CCC(C3)O4)cn2n1
InChIInChI=1S/C12H13ClN4O/c13-12-14-11-4-1-8(5-17(11)15-12)16-6-9-2-3-10(7-16)18-9/h1,4-5,9-10H,2-3,6-7H2
InChIKeyNZUHJLNSUKKWNL-UHFFFAOYSA-N
XLogP1.75
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

4-Pyrrolo[2,1-f][1,2,4]triazin-4-ylmorpholine
CID 118711765
4-[3-(4-pyridin-3-yl-4H-1,2,4-triazol-3-yl)propyl]morpholine
CID 56717400
2-[1-(2-Methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 95043058
(2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
CID 134805310
6-morpholin-4-yl-N-phenylimidazo[1,2-b]pyridazin-3-amine
CID 134808386
2-(Methoxymethyl)[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 53190783
1-(2-Fluorobenzyl)-3-[5-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-2-pyrimidinyl]-1H-pyrazolo[3,4-b]pyridine
CID 21983537
5-[4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 118084876
4-[6-[(E)-2-[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]ethenyl]-3-pyridinyl]morpholine
CID 156404479
4-(2-Chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine
CID 170627143
2-Chloro-6-(4-fluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 170677674
(2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine
CID 170677847

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 170627401) is 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane is Clc1nc2ccc(N3CC4CCC(C3)O4)cn2n1.
What is the InChIKey of 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is NZUHJLNSUKKWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-12-14-11-4-1-8(5-17(11)15-12)16-6-9-2-3-10(7-16)18-9/h1,4-5,9-10H,2-3,6-7H2.
What are the key properties of 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 264.72 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170627401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).