6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine

C21H19N5O — CID 53021985

IUPAC6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine
SMILESCc1ccc(-c2noc(-c3ccc(NCCc4ccccc4)nn3)n2)cc1
InChIInChI=1S/C21H19N5O/c1-15-7-9-17(10-8-15)20-23-21(27-26-20)18-11-12-19(25-24-18)22-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,25)
InChIKeyLKXYLAQKJYZGPX-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.16
Rot. Bonds6

About 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine

6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine (PubChem CID 53021985) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine
PubChem CID53021985
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine
SMILESCc1ccc(-c2noc(-c3ccc(NCCc4ccccc4)nn3)n2)cc1
InChIInChI=1S/C21H19N5O/c1-15-7-9-17(10-8-15)20-23-21(27-26-20)18-11-12-19(25-24-18)22-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,25)
InChIKeyLKXYLAQKJYZGPX-UHFFFAOYSA-N
XLogP4.16
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine?
The IUPAC name of 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine (CID 53021985) is 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine.
What is the SMILES notation for 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine?
The canonical SMILES for 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine is Cc1ccc(-c2noc(-c3ccc(NCCc4ccccc4)nn3)n2)cc1.
What is the InChIKey of 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine?
The InChIKey is LKXYLAQKJYZGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-7-9-17(10-8-15)20-23-21(27-26-20)18-11-12-19(25-24-18)22-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,25).
What are the key properties of 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine?
6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine has a molecular weight of 357.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine is sourced from PubChem (CID 53021985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).