ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C16H25N5O2 — CID 171503859

IUPACethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC.COc1ccc(-c2noc(C3CCC(CN)CC3)n2)nn1
InChIInChI=1S/C14H19N5O2.C2H6/c1-20-12-7-6-11(17-18-12)13-16-14(21-19-13)10-4-2-9(8-15)3-5-10;1-2/h6-7,9-10H,2-5,8,15H2,1H3;1-2H3
InChIKeyZMLKAMMZOKLFHE-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.79
Rot. Bonds4

About ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 171503859) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Nameethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID171503859
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Nameethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC.COc1ccc(-c2noc(C3CCC(CN)CC3)n2)nn1
InChIInChI=1S/C14H19N5O2.C2H6/c1-20-12-7-6-11(17-18-12)13-16-14(21-19-13)10-4-2-9(8-15)3-5-10;1-2/h6-7,9-10H,2-5,8,15H2,1H3;1-2H3
InChIKeyZMLKAMMZOKLFHE-UHFFFAOYSA-N
XLogP2.79
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine with MolForge

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Related Compounds

5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
CID 171503811
cis-(1S,3R)-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323669
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103375309
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103372772
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104797956
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258
N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103375343
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
[4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526331
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103372928

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 171503859) is ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is CC.COc1ccc(-c2noc(C3CCC(CN)CC3)n2)nn1.
What is the InChIKey of ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is ZMLKAMMZOKLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.C2H6/c1-20-12-7-6-11(17-18-12)13-16-14(21-19-13)10-4-2-9(8-15)3-5-10;1-2/h6-7,9-10H,2-5,8,15H2,1H3;1-2H3.
What are the key properties of ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 319.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 171503859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).