1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine

C12H16BrN5O — CID 115315885

IUPAC1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(c2nc3c(Br)cccn3n2)CCO1
InChIInChI=1S/C12H16BrN5O/c1-8(14)10-7-17(5-6-19-10)12-15-11-9(13)3-2-4-18(11)16-12/h2-4,8,10H,5-7,14H2,1H3
InChIKeyQSXMJMYSRYMVHA-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.04
Rot. Bonds2

About 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine

1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine (PubChem CID 115315885) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine
PubChem CID115315885
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(c2nc3c(Br)cccn3n2)CCO1
InChIInChI=1S/C12H16BrN5O/c1-8(14)10-7-17(5-6-19-10)12-15-11-9(13)3-2-4-18(11)16-12/h2-4,8,10H,5-7,14H2,1H3
InChIKeyQSXMJMYSRYMVHA-UHFFFAOYSA-N
XLogP1.04
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine
CID 115315853
1-(4-pyrimidin-2-ylmorpholin-2-yl)ethanamine
CID 115315809
1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine
CID 115355411
1-[4-(2,6-dimethyl-4-pyridinyl)morpholin-2-yl]ethanamine
CID 114272217
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 115315735
1-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethanamine
CID 115315932
1-[4-(4-methylphthalazin-1-yl)morpholin-2-yl]ethanamine
CID 115315817
1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine
CID 115315766
3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 113285121
1-[4-(5,6-dimethylpyrazin-2-yl)morpholin-2-yl]ethanamine
CID 114476599
2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile
CID 113285117
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine (CID 115315885) is 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine is CC(N)C1CN(c2nc3c(Br)cccn3n2)CCO1.
What is the InChIKey of 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine?
The InChIKey is QSXMJMYSRYMVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-8(14)10-7-17(5-6-19-10)12-15-11-9(13)3-2-4-18(11)16-12/h2-4,8,10H,5-7,14H2,1H3.
What are the key properties of 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine?
1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine has a molecular weight of 326.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).