2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine

C11H13BrN4O — CID 66434028

IUPAC2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
SMILESBrc1ccc2nnc(CC3CNCCO3)n2c1
InChIInChI=1S/C11H13BrN4O/c12-8-1-2-10-14-15-11(16(10)7-8)5-9-6-13-3-4-17-9/h1-2,7,9,13H,3-6H2
InChIKeyGOYOWGQAZSHTPE-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.02
Rot. Bonds2

About 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine

2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine (PubChem CID 66434028) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
PubChem CID66434028
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
SMILESBrc1ccc2nnc(CC3CNCCO3)n2c1
InChIInChI=1S/C11H13BrN4O/c12-8-1-2-10-14-15-11(16(10)7-8)5-9-6-13-3-4-17-9/h1-2,7,9,13H,3-6H2
InChIKeyGOYOWGQAZSHTPE-UHFFFAOYSA-N
XLogP1.02
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139205
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
CID 65349519
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine
CID 79817912
2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
CID 66422945
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
N,4-dimethyl-5-(morpholin-2-ylmethyl)-1,2,4-triazol-3-amine
CID 112597017
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 66433751
6-bromo-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139057
6-bromo-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257133
2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
CID 64535074
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine?
The IUPAC name of 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine (CID 66434028) is 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine.
What is the SMILES notation for 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine?
The canonical SMILES for 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine is Brc1ccc2nnc(CC3CNCCO3)n2c1.
What is the InChIKey of 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine?
The InChIKey is GOYOWGQAZSHTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-8-1-2-10-14-15-11(16(10)7-8)5-9-6-13-3-4-17-9/h1-2,7,9,13H,3-6H2.
What are the key properties of 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine?
2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine has a molecular weight of 297.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine is sourced from PubChem (CID 66434028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).