2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C12H10N6O2 — CID 103372858

IUPAC2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCOc1ccc(-c2noc(-c3ncccc3N)n2)nn1
InChIInChI=1S/C12H10N6O2/c1-19-9-5-4-8(16-17-9)11-15-12(20-18-11)10-7(13)3-2-6-14-10/h2-6H,13H2,1H3
InChIKeyINCJVWISHVEZAH-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.18
Rot. Bonds3

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

2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 103372858) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID103372858
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCOc1ccc(-c2noc(-c3ncccc3N)n2)nn1
InChIInChI=1S/C12H10N6O2/c1-19-9-5-4-8(16-17-9)11-15-12(20-18-11)10-7(13)3-2-6-14-10/h2-6H,13H2,1H3
InChIKeyINCJVWISHVEZAH-UHFFFAOYSA-N
XLogP1.18
TPSA112.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 102949607
3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372862
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743077
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743010
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813576
5-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372756
5-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372807
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742918
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741239
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 104742909
3-fluoro-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795650

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 103372858) is 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is COc1ccc(-c2noc(-c3ncccc3N)n2)nn1.
What is the InChIKey of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is INCJVWISHVEZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c1-19-9-5-4-8(16-17-9)11-15-12(20-18-11)10-7(13)3-2-6-14-10/h2-6H,13H2,1H3.
What are the key properties of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 270.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 103372858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).