2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine

C11H12N8O2 — CID 103372724

IUPAC2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
SMILESCOc1ccc(-c2noc(-c3cn(CCN)nn3)n2)nn1
InChIInChI=1S/C11H12N8O2/c1-20-9-3-2-7(14-16-9)10-13-11(21-17-10)8-6-19(5-4-12)18-15-8/h2-3,6H,4-5,12H2,1H3
InChIKeyXAXVVCZVJHLZNZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP-0.25
Rot. Bonds5

About 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine

2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine (PubChem CID 103372724) has the molecular formula C11H12N8O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
PubChem CID103372724
Molecular FormulaC11H12N8O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
SMILESCOc1ccc(-c2noc(-c3cn(CCN)nn3)n2)nn1
InChIInChI=1S/C11H12N8O2/c1-20-9-3-2-7(14-16-9)10-13-11(21-17-10)8-6-19(5-4-12)18-15-8/h2-3,6H,4-5,12H2,1H3
InChIKeyXAXVVCZVJHLZNZ-UHFFFAOYSA-N
XLogP-0.25
TPSA130.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 79719316
2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 79613967
2-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 107917721
ethyl 5-[1-(2-aminoethyl)triazol-4-yl]-1,2,4-oxadiazole-3-carboxylate
CID 112631666
3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372862
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103372928
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813576
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858
5-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372756
3-fluoro-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795650
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine (CID 103372724) is 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine is COc1ccc(-c2noc(-c3cn(CCN)nn3)n2)nn1.
What is the InChIKey of 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The InChIKey is XAXVVCZVJHLZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8O2/c1-20-9-3-2-7(14-16-9)10-13-11(21-17-10)8-6-19(5-4-12)18-15-8/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine has a molecular weight of 288.27 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine is sourced from PubChem (CID 103372724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).