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

C13H17N5O2 — CID 103372772

IUPAC2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCOc1ccc(-c2noc(C3CCCCC3N)n2)nn1
InChIInChI=1S/C13H17N5O2/c1-19-11-7-6-10(16-17-11)12-15-13(20-18-12)8-4-2-3-5-9(8)14/h6-9H,2-5,14H2,1H3
InChIKeyVDJMAAPEPZBOHZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.52
Rot. Bonds3

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

2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 103372772) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID103372772
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCOc1ccc(-c2noc(C3CCCCC3N)n2)nn1
InChIInChI=1S/C13H17N5O2/c1-19-11-7-6-10(16-17-11)12-15-13(20-18-12)8-4-2-3-5-9(8)14/h6-9H,2-5,14H2,1H3
InChIKeyVDJMAAPEPZBOHZ-UHFFFAOYSA-N
XLogP1.52
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103375343
cis-(1S,3R)-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323669
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103375309
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79719199
ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 171503859
5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
CID 171503811
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 82732105
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 107915071
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937
3-(6-methoxypyridazin-3-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103372842

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 103372772) is 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is COc1ccc(-c2noc(C3CCCCC3N)n2)nn1.
What is the InChIKey of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is VDJMAAPEPZBOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-19-11-7-6-10(16-17-11)12-15-13(20-18-12)8-4-2-3-5-9(8)14/h6-9H,2-5,14H2,1H3.
What are the key properties of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 103372772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).