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

C21H19N5O2 — CID 53021969

IUPACN-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
SMILESCCOc1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)nn2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-27-17-10-8-15(9-11-17)14-22-19-13-12-18(24-25-19)21-23-20(26-28-21)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,22,25)
InChIKeyJSOVTWCMAWZTDU-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.20
Rot. Bonds7

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

N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine (PubChem CID 53021969) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
PubChem CID53021969
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
SMILESCCOc1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)nn2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-27-17-10-8-15(9-11-17)14-22-19-13-12-18(24-25-19)21-23-20(26-28-21)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,22,25)
InChIKeyJSOVTWCMAWZTDU-UHFFFAOYSA-N
XLogP4.20
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine (CID 53021969) is N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine is CCOc1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)nn2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
The InChIKey is JSOVTWCMAWZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-27-17-10-8-15(9-11-17)14-22-19-13-12-18(24-25-19)21-23-20(26-28-21)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,22,25).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine has a molecular weight of 373.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine is sourced from PubChem (CID 53021969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).