N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine

C20H17N5O — CID 53004469

IUPACN-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
SMILESCN(Cc1ccccc1)c1ccc(-c2nc(-c3ccccc3)no2)nn1
InChIInChI=1S/C20H17N5O/c1-25(14-15-8-4-2-5-9-15)18-13-12-17(22-23-18)20-21-19(24-26-20)16-10-6-3-7-11-16/h2-13H,14H2,1H3
InChIKeyOFEZWRPCLGFJJX-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.83
Rot. Bonds5

About N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine

N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine (PubChem CID 53004469) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
PubChem CID53004469
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
SMILESCN(Cc1ccccc1)c1ccc(-c2nc(-c3ccccc3)no2)nn1
InChIInChI=1S/C20H17N5O/c1-25(14-15-8-4-2-5-9-15)18-13-12-17(22-23-18)20-21-19(24-26-20)16-10-6-3-7-11-16/h2-13H,14H2,1H3
InChIKeyOFEZWRPCLGFJJX-UHFFFAOYSA-N
XLogP3.83
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
The IUPAC name of N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine (CID 53004469) is N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine.
What is the SMILES notation for N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
The canonical SMILES for N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine is CN(Cc1ccccc1)c1ccc(-c2nc(-c3ccccc3)no2)nn1.
What is the InChIKey of N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
The InChIKey is OFEZWRPCLGFJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25(14-15-8-4-2-5-9-15)18-13-12-17(22-23-18)20-21-19(24-26-20)16-10-6-3-7-11-16/h2-13H,14H2,1H3.
What are the key properties of N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine has a molecular weight of 343.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine is sourced from PubChem (CID 53004469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).